N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide

C24H19ClN2O2 — CID 1328482

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H19ClN2O2/c1-15-12-22(23(29-2)14-19(15)25)27-24(28)18-13-21(16-8-4-3-5-9-16)26-20-11-7-6-10-17(18)20/h3-14H,1-2H3,(H,27,28)
InChIKeyJZMXCTOMXIADSH-UHFFFAOYSA-N
MW402.88 g/mol
LogP6.12
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide (PubChem CID 1328482) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
PubChem CID1328482
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H19ClN2O2/c1-15-12-22(23(29-2)14-19(15)25)27-24(28)18-13-21(16-8-4-3-5-9-16)26-20-11-7-6-10-17(18)20/h3-14H,1-2H3,(H,27,28)
InChIKeyJZMXCTOMXIADSH-UHFFFAOYSA-N
XLogP6.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2347439
N-(5-chloro-2,4-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
CID 26210631
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 16550601
N-(2-methylquinolin-4-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 3900592
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide (CID 1328482) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is JZMXCTOMXIADSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-15-12-22(23(29-2)14-19(15)25)27-24(28)18-13-21(16-8-4-3-5-9-16)26-20-11-7-6-10-17(18)20/h3-14H,1-2H3,(H,27,28).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 1328482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).