2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid

C34H27ClN4O2 — CID 5276109

IUPAC2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)nc(-c1ccc3nc(-c4ccccc4-c4ccc(Cl)cc4)ccc3c1)n2C1CCCCC1
InChIInChI=1S/C34H27ClN4O2/c35-25-14-10-21(11-15-25)27-8-4-5-9-28(27)30-17-12-22-18-23(13-16-29(22)37-30)32-38-31-19-24(34(40)41)20-36-33(31)39(32)26-6-2-1-3-7-26/h4-5,8-20,26H,1-3,6-7H2,(H,40,41)
InChIKeyOLTKFIOQURBTQV-UHFFFAOYSA-N
MW559.07 g/mol
LogP8.84
Rot. Bonds5

About 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid

2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 5276109) has the molecular formula C34H27ClN4O2 and a molecular weight of 559.07 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID5276109
Molecular FormulaC34H27ClN4O2
Molecular Weight559.07 g/mol
Exact Mass558.18
IUPAC Name2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)nc(-c1ccc3nc(-c4ccccc4-c4ccc(Cl)cc4)ccc3c1)n2C1CCCCC1
InChIInChI=1S/C34H27ClN4O2/c35-25-14-10-21(11-15-25)27-8-4-5-9-28(27)30-17-12-22-18-23(13-16-29(22)37-30)32-38-31-19-24(34(40)41)20-36-33(31)39(32)26-6-2-1-3-7-26/h4-5,8-20,26H,1-3,6-7H2,(H,40,41)
InChIKeyOLTKFIOQURBTQV-UHFFFAOYSA-N
XLogP8.84
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.07
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

4-[4-(2-Butyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11167180
4-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11316515
4-[4-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11374350
2-Chloro-4-[4-(5,7-dimethyl-2-propyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11443112
4,5-Dichloro-2-[[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]methyl]benzoic acid
CID 44355662
6-chloro-3-[[(1R)-1-(2,5-diethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 169154513
6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 169155217
6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 169155292
6-(2-Aminopyrimidin-4-yl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid
CID 134372852
1-(8-Chloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid
CID 134372868
1-Cyclohexyl-2-(3-phenyl-6-quinolyl)benzimidazole-5-carboxylic acid
CID 5275975
1-Cyclohexyl-2-[2-(3-pyridyl)-6-quinolyl]benzimidazole-5-carboxylic acid
CID 5275981

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid (CID 5276109) is 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2c(c1)nc(-c1ccc3nc(-c4ccccc4-c4ccc(Cl)cc4)ccc3c1)n2C1CCCCC1.
What is the InChIKey of 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is OLTKFIOQURBTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27ClN4O2/c35-25-14-10-21(11-15-25)27-8-4-5-9-28(27)30-17-12-22-18-23(13-16-29(22)37-30)32-38-31-19-24(34(40)41)20-36-33(31)39(32)26-6-2-1-3-7-26/h4-5,8-20,26H,1-3,6-7H2,(H,40,41).
What are the key properties of 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid?
2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 559.07 g/mol, XLogP of 8.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3-cyclohexylimidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 5276109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).