Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Quinolin-3-amine.

ABSTRACT: In the crystal structur of the achiral title compound, C(9)H(8)N(2), N-H?N hydrogen bonds connect the mol-ecules into zigzag chains in [100]. Weak inter-molecular N-H?? inter-actions further consolidate the crystal packing.

SUBMITTER: Islor AM

PROVIDER: S-EPMC3515251 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Quinolin-3-amine.

Islor Arun M AM Chandrakantha B B Shetty Prakash P Gerber Thomas T Hosten Eric E Betz Richard R

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

In the crystal structur of the achiral title compound, C(9)H(8)N(2), N-H⋯N hydrogen bonds connect the mol-ecules into zigzag chains in [100]. Weak inter-molecular N-H⋯π inter-actions further consolidate the crystal packing. ...[more]

PMID: 23284471

Similar Datasets

N-(4-Chloro-phen-yl)quinolin-2-amine.

Project description:There is a twist in the title mol-ecule, C(15)H(11)ClN(2), as seen in the dihedral angle of 18.85?(9)° between the quinoline and benzene rings. A short C-H?N contact arises from this conformation and the amine H and quinoline N atoms are directed towards opposite sides of the mol-ecule. In the crystal, supra-molecular layers in the ab plane are mediated by C-H?? inter-actions.

| S-EPMC3238846 | biostudies-other

Crystal structure of N-(quinolin-6-yl)hydroxyl-amine.

Project description:The title compound, C9H8N2O, crystallized with four independent mol-ecules in the asymmetric unit. The four mol-ecules are linked via one O-H⋯N and two N-H⋯N hydrogen bonds, forming a tetra-mer-like unit. In the crystal, mol-ecules are further linked by O-H⋯N and N-H⋯O hydrogen bonds forming layers parallel to (001). These layers are linked via C-H⋯O hydrogen bonds and a number of weak C-H⋯π inter-actions, forming a three-dimensional structure. The crystal was refined as a non-merohedral twin with a minor twin component of 0.319.

| S-EPMC4257318 | biostudies-literature

N-[(E)-Quinolin-2-ylmethylidene]-1,2,4-triazol-4-amine hemihydrate

Project description:In the title hemihydrate, the Schiff base molecule adopts an E configuration about the C=N bond and is approximately planar, with a dihedral angle between the quinoline ring system and the 1,2,4-triazole ring of 12.2 (1)°. In the crystal, one water molecule bridges two Schiff base molecules via O—H⋯N hydrogen bonds. The title hemihydrate, C12H9N5·0.5H2O, was isolated from the condensation reaction of quinoline-2-carbaldehyde with 4-amino-4H-1,2,4-triazole. The Schiff base molecule adopts an E configuration about the C=N bond and is approximately planar, with a dihedral angle between the quinoline ring system and the 1,2,4-triazole ring of 12.2 (1)°. In the crystal, one water molecule bridges two Schiff base molecules via O—H⋯N hydrogen bonds. The Schiff base molecules are interconnected by π–π stacking interactions [centroid-centroid distances of 3.7486 (7) and 3.9003 (7) Å] into columns along [1

| S-EPMC9462182 | biostudies-literature

4-Chloro-6-methyl-N-(4-methyl-phen-yl)quinolin-2-amine.

Project description:In the title compound C(17)H(15)ClN(2), the dihedral angle between the quinoline ring system and the phenyl ring is 50.18 (6)°. In the crystal, mol-ecules are linked into chains running along the c axis by N-H⋯N hydrogen bonds.

| S-EPMC3051802 | biostudies-literature

1-Isobutyl-N,N-dimethyl-1H-imidazo[4,5-c]quinolin-4-amine.

Project description:In the title compound, C(16)H(20)N(4), the 1H-imidazo[4,5-c]quinoline ring system is approximately planar, with a maximum deviation of 0.0719 (15) Å. An intra-molecular C-H⋯N hydrogen bond contributes to the stabilization of the mol-ecule, forming an S(6) ring motif. In the crystal, the mol-ecules are stacked along the b axis through weak aromatic π-π inter-actions between benzene and imidazole and benzene and pyridine rings [centroid-centroid distances = 3.6055 (10) and 3.5342 (10) Å, respectively].

| S-EPMC3051498 | biostudies-literature

Crystal structure of N (1)-phenyl-N (4)-[(quinolin-2-yl)methyl-idene]benzene-1,4-di-amine.

Project description:In the title compound, C22H17N3, the dihedral angles between the central benzene ring and the terminal phenyl ring and quinoline ring system (r.m.s. deviation = 0.027 Å) are 44.72 (7) and 9.02 (4)°, respectively, and the bond-angle sum at the amine N atom is 359.9°. In the crystal, the N-H group is not involved in hydrogen bonding and the mol-ecules are linked by weak C-H⋯π inter-actions, generating [010] chains.

| S-EPMC4186095 | biostudies-literature

Crystal structure of N (1),N (1)-diethyl-N (4)-[(quinolin-2-yl)methyl-idene]benzene-1,4-di-amine.

Project description:The title compound, C20H21N3, is non-planar with a dihedral angle between the planes of the quinoline and phenyl-enedi-amine rings of 9.40 (4)°. In the crystal, mol-ecules are connected by C-H⋯π inter-actions, generating a chain extending along the a-axis direction. Weak C-H⋯π inter-actions also occur.

| S-EPMC4331901 | biostudies-literature

Structure-activity relationships of new 1H-imidazo[4,5-c]quinolin-4-amine derivatives as allosteric enhancers of the A3 adenosine receptor.

Project description:1H-Imidazo[4,5-c]quinolin-4-amine derivatives have been synthesized as allosteric modulators of the human A3 adenosine receptor (AR). Structural modifications were made at the 4-amino and 2 positions. The compounds were tested in both binding and functional assays, and many were found to be allosteric enhancers of the action of A3AR agonists by several different criteria. First, a potentiation of the maximum efficacy of the agonist Cl-IB-MECA was observed for numerous derivatives. Also, a number of these compounds decreased the rate of dissociation of the agonist [125I]I-AB-MECA from the A3AR. Most prominently, compound 43 (LUF6000) was found to enhance agonist efficacy in a functional assay by 45% and decrease dissociation rate similarly without influencing agonist potency. The structural requirements for allosteric enhancement at the A3AR were distinct from the requirements to inhibit equilibrium binding. Thus, we have prepared allosteric enhancers of the human A3AR that have an improved allosteric effect in comparison to the inhibition of equilibrium binding at the orthosteric site.

| S-EPMC2547348 | biostudies-literature

Novel 2- and 4-substituted 1H-imidazo[4,5-c]quinolin-4-amine derivatives as allosteric modulators of the A3 adenosine receptor.

Project description:4-Arylamino and 2- cycloalkyl (including amino substitution) modifications were made in a series of 1H-imidazo[4,5-c]quinolin-4-amine derivatives as allosteric modulators of the human A(3) adenosine receptor (AR). In addition to allosteric modulation of the maximum functional efficacy (in [(35)S]GTPgammaS G protein binding assay) of the A(3)AR agonist Cl-IB-MECA (15), some analogues also weakly inhibited equilibrium radioligand binding at ARs. 4-(3,5-Dichlorophenylamino) (6) or 2-(1-adamantyl) (20) substitution produced allosteric enhancement (twice the maximal agonist efficacy), with minimal inhibition of orthosteric AR binding. 2-(4-Tetrahydropyranyl) substitution abolished allosteric enhancement but preserved inhibition of orthosteric binding. Introduction of nitrogen in the six-membered ring at the 2 position, to improve aqueous solubility and provide a derivatization site, greatly reduced the allosteric enhancement. 2-(4-(Benzoylamino)cyclohexyl) analogues 23 and 24 were weak negative A(3)AR modulators. Thus, consistent with previous findings, the allosteric and orthosteric inhibitory A(3)AR effects in imidazoquinolines are structurally separable, suggesting the possible design of additional derivatives with enhanced positive or negative allosteric A(3)AR activity and improved selectivity in comparison to inhibition of orthosteric binding.

| S-EPMC2765805 | biostudies-literature

Crystal structure of (E)-N-[(2-chloro-6-meth-oxy-quinolin-3-yl)methyl-idene]-9-ethyl-9H-carbazol-3-amine.

Project description:In the title compound, C25H20ClN3O, the C=N bond of the central imine group adopts an E conformation. The mean planes through the essentially planar carbazole [maximum deviation = 0.052 (2)Å] and quinoline [maximum deviation = 0.050 (2) Å] ring systems form a dihedral angle of 50.2 (1)°. In the crystal, mol-ecules are linked by C-H⋯π and π-π inter-actions [centroid-centroid distances ranging from 3.635 (2) to 3.739 (2) Å], forming a three-dimensional supra-molecular network.

| S-EPMC4438854 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data