6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one

C23H15Cl2NO2 — CID 101359142

IUPAC6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(-c2ccc(Cl)cc2)c2cc(C(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C23H15Cl2NO2/c1-26-21-11-6-16(23(28)15-4-9-18(25)10-5-15)12-20(21)19(13-22(26)27)14-2-7-17(24)8-3-14/h2-13H,1H3
InChIKeyGXRKDGSGKXIBSH-UHFFFAOYSA-N
MW408.28 g/mol
LogP5.74
Rot. Bonds3

About 6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one

6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one (PubChem CID 101359142) has the molecular formula C23H15Cl2NO2 and a molecular weight of 408.28 g/mol. Its IUPAC name is 6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one
PubChem CID101359142
Molecular FormulaC23H15Cl2NO2
Molecular Weight408.28 g/mol
Exact Mass407.05
IUPAC Name6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(-c2ccc(Cl)cc2)c2cc(C(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C23H15Cl2NO2/c1-26-21-11-6-16(23(28)15-4-9-18(25)10-5-15)12-20(21)19(13-22(26)27)14-2-7-17(24)8-3-14/h2-13H,1H3
InChIKeyGXRKDGSGKXIBSH-UHFFFAOYSA-N
XLogP5.74
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.28
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 11452553
6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one
CID 10089265
6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one
CID 18379023
6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one
CID 142129216
4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one
CID 135058824
(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone
CID 23388862
4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine
CID 142985463
(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone
CID 22136492
bis(methyl 3-[(4-chlorophenyl)-(1-methyl-2-oxo-4-phenylquinolin-6-yl)methyl]imidazole-4-carboxylate);oxalic acid
CID 173228038
6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one;2,2,2-trifluoroacetic acid
CID 46237254
6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one
CID 91231904
(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone
CID 12648629

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one?
The IUPAC name of 6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one (CID 101359142) is 6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one.
What is the SMILES notation for 6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one?
The canonical SMILES for 6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one is Cn1c(=O)cc(-c2ccc(Cl)cc2)c2cc(C(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one?
The InChIKey is GXRKDGSGKXIBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO2/c1-26-21-11-6-16(23(28)15-4-9-18(25)10-5-15)12-20(21)19(13-22(26)27)14-2-7-17(24)8-3-14/h2-13H,1H3.
What are the key properties of 6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one?
6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one has a molecular weight of 408.28 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one is sourced from PubChem (CID 101359142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).