8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide

C23H17ClN2O — CID 3105380

IUPAC8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)c1
InChIInChI=1S/C23H17ClN2O/c1-15-7-5-10-17(13-15)25-23(27)19-14-21(16-8-3-2-4-9-16)26-22-18(19)11-6-12-20(22)24/h2-14H,1H3,(H,25,27)
InChIKeyIRIDRNDMXSSRSD-UHFFFAOYSA-N
MW372.86 g/mol
LogP6.12
Rot. Bonds3

About 8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide

8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide (PubChem CID 3105380) has the molecular formula C23H17ClN2O and a molecular weight of 372.86 g/mol. Its IUPAC name is 8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide
PubChem CID3105380
Molecular FormulaC23H17ClN2O
Molecular Weight372.86 g/mol
Exact Mass372.10
IUPAC Name8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)c1
InChIInChI=1S/C23H17ClN2O/c1-15-7-5-10-17(13-15)25-23(27)19-14-21(16-8-3-2-4-9-16)26-22-18(19)11-6-12-20(22)24/h2-14H,1H3,(H,25,27)
InChIKeyIRIDRNDMXSSRSD-UHFFFAOYSA-N
XLogP6.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895
8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17371730
N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide
CID 3456434
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2220481
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705
2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220619
8-chloro-N-[(E)-4-methylpentan-2-ylideneamino]-2-phenylquinoline-4-carboxamide
CID 17349846

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide (CID 3105380) is 8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide is Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)c1.
What is the InChIKey of 8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is IRIDRNDMXSSRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O/c1-15-7-5-10-17(13-15)25-23(27)19-14-21(16-8-3-2-4-9-16)26-22-18(19)11-6-12-20(22)24/h2-14H,1H3,(H,25,27).
What are the key properties of 8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide?
8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3105380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).