8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine

C13H11ClN4 — CID 62763903

IUPAC8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
SMILESClc1ccc(NCc2cnc[nH]2)c2cccnc12
InChIInChI=1S/C13H11ClN4/c14-11-3-4-12(10-2-1-5-16-13(10)11)17-7-9-6-15-8-18-9/h1-6,8,17H,7H2,(H,15,18)
InChIKeyWOLVXDWGPFIPDU-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.22
Rot. Bonds3

About 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine

8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine (PubChem CID 62763903) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
PubChem CID62763903
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
SMILESClc1ccc(NCc2cnc[nH]2)c2cccnc12
InChIInChI=1S/C13H11ClN4/c14-11-3-4-12(10-2-1-5-16-13(10)11)17-7-9-6-15-8-18-9/h1-6,8,17H,7H2,(H,15,18)
InChIKeyWOLVXDWGPFIPDU-UHFFFAOYSA-N
XLogP3.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3H-imidazo[4,5-c]quinoline
CID 10540663
4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile
CID 16066845
8-chloro-4-(3-chloro-4-fluorophenylamino)-6-((2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino)quinoline-3-carbonitrile
CID 17758015
4-[(3-chloro-4-fluorophenyl)amino]-8-fluoro-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile
CID 17758240
8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[4-(propan-2-yl)-1H-imidazol-5-yl]methyl}amino)quinoline-3-carbonitrile
CID 17758466
8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(4-ethyl-1H-imidazol-5-yl)methyl]amino}quinoline-3-carbonitrile
CID 17758467
8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(2,5-dimethyl-1H-imidazol-4-yl)methyl]amino}quinoline-3-carbonitrile
CID 17758575
8-chloro-4-(3-chloro-4-fluoroanilino)-6-(1H-imidazol-5-ylmethylamino)-3-quinolinecarbonitrile
CID 17759555
8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-{[2-(1H-imidazol-4-yl)ethyl]amino}quinoline-3-carbonitrile
CID 24776415
3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
7-N-(2-chloro-6-methylphenyl)-12-N,12-N-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine
CID 11175620
5-chloro-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 155557337

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine?
The IUPAC name of 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine (CID 62763903) is 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine.
What is the SMILES notation for 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine?
The canonical SMILES for 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine is Clc1ccc(NCc2cnc[nH]2)c2cccnc12.
What is the InChIKey of 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine?
The InChIKey is WOLVXDWGPFIPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-11-3-4-12(10-2-1-5-16-13(10)11)17-7-9-6-15-8-18-9/h1-6,8,17H,7H2,(H,15,18).
What are the key properties of 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine?
8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine has a molecular weight of 258.71 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine is sourced from PubChem (CID 62763903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).