N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide

C24H19ClN2O2 — CID 85470701

IUPACN-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3cccc(O)c3)cc(C(=O)Nc3cc(Cl)ccc3C)c2c1
InChIInChI=1S/C24H19ClN2O2/c1-14-6-9-21-19(10-14)20(13-23(26-21)16-4-3-5-18(28)11-16)24(29)27-22-12-17(25)8-7-15(22)2/h3-13,28H,1-2H3,(H,27,29)
InChIKeyHZYJZTJLLSYSPA-UHFFFAOYSA-N
MW402.88 g/mol
LogP6.13
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide

N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide (PubChem CID 85470701) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide
PubChem CID85470701
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3cccc(O)c3)cc(C(=O)Nc3cc(Cl)ccc3C)c2c1
InChIInChI=1S/C24H19ClN2O2/c1-14-6-9-21-19(10-14)20(13-23(26-21)16-4-3-5-18(28)11-16)24(29)27-22-12-17(25)8-7-15(22)2/h3-13,28H,1-2H3,(H,27,29)
InChIKeyHZYJZTJLLSYSPA-UHFFFAOYSA-N
XLogP6.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide
CID 3165781
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
6-methyl-N-(4-methyl-2-pyridinyl)-2-phenylquinoline-4-carboxamide
CID 16573417
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide (CID 85470701) is N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide is Cc1ccc2nc(-c3cccc(O)c3)cc(C(=O)Nc3cc(Cl)ccc3C)c2c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide?
The InChIKey is HZYJZTJLLSYSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-14-6-9-21-19(10-14)20(13-23(26-21)16-4-3-5-18(28)11-16)24(29)27-22-12-17(25)8-7-15(22)2/h3-13,28H,1-2H3,(H,27,29).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide?
N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 6.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(3-hydroxyphenyl)-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 85470701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).