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

C23H17ClN2O — CID 2923025

IUPACN-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H17ClN2O/c1-15-13-17(24)11-12-20(15)26-23(27)19-14-22(16-7-3-2-4-8-16)25-21-10-6-5-9-18(19)21/h2-14H,1H3,(H,26,27)
InChIKeyKZVIHYIIDMWEDM-UHFFFAOYSA-N
MW372.86 g/mol
LogP6.12
Rot. Bonds3

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

N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide (PubChem CID 2923025) has the molecular formula C23H17ClN2O and a molecular weight of 372.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
PubChem CID2923025
Molecular FormulaC23H17ClN2O
Molecular Weight372.86 g/mol
Exact Mass372.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H17ClN2O/c1-15-13-17(24)11-12-20(15)26-23(27)19-14-22(16-7-3-2-4-8-16)25-21-10-6-5-9-18(19)21/h2-14H,1H3,(H,26,27)
InChIKeyKZVIHYIIDMWEDM-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

N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide
CID 3165622
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 1328482
2-(5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4183460

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide (CID 2923025) is N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is KZVIHYIIDMWEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O/c1-15-13-17(24)11-12-20(15)26-23(27)19-14-22(16-7-3-2-4-8-16)25-21-10-6-5-9-18(19)21/h2-14H,1H3,(H,26,27).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide?
N-(4-chloro-2-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 N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 2923025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).