4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one

C26H19Cl2N3O — CID 11604992

IUPAC4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc21
InChIInChI=1S/C26H19Cl2N3O/c1-30-24-10-7-19(26(31-12-11-29-16-31)17-5-8-20(27)9-6-17)14-23(24)22(15-25(30)32)18-3-2-4-21(28)13-18/h2-16,26H,1H3
InChIKeyLNMVKTAEIBQKGC-UHFFFAOYSA-N
MW460.36 g/mol
LogP6.35
Rot. Bonds4

About 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one (PubChem CID 11604992) has the molecular formula C26H19Cl2N3O and a molecular weight of 460.36 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
PubChem CID11604992
Molecular FormulaC26H19Cl2N3O
Molecular Weight460.36 g/mol
Exact Mass459.09
IUPAC Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc21
InChIInChI=1S/C26H19Cl2N3O/c1-30-24-10-7-19(26(31-12-11-29-16-31)17-5-8-20(27)9-6-17)14-23(24)22(15-25(30)32)18-3-2-4-21(28)13-18/h2-16,26H,1H3
InChIKeyLNMVKTAEIBQKGC-UHFFFAOYSA-N
XLogP6.35
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.36
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one
CID 22626590
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997357
6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 11452553
9-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-11-thione
CID 18431482
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
bis(methyl 3-[(4-chlorophenyl)-(1-methyl-2-oxo-4-phenylquinolin-6-yl)methyl]imidazole-4-carboxylate);oxalic acid
CID 173228038
6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole
CID 143997344
6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 59157844
4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 11592576
4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine
CID 142985463
4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-methoxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 58906527
6-[amino-(3-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;dimethylphosphorylmethane
CID 91416842

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one (CID 11604992) is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one is Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc21.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one?
The InChIKey is LNMVKTAEIBQKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3O/c1-30-24-10-7-19(26(31-12-11-29-16-31)17-5-8-20(27)9-6-17)14-23(24)22(15-25(30)32)18-3-2-4-21(28)13-18/h2-16,26H,1H3.
What are the key properties of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one?
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one has a molecular weight of 460.36 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one is sourced from PubChem (CID 11604992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).