4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one

C21H14Cl2N2O — CID 139899667

IUPAC4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one
SMILESCn1c(=O)nc(-c2cccc(Cl)c2)c2cc(-c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H14Cl2N2O/c1-25-19-10-7-14(13-5-8-16(22)9-6-13)12-18(19)20(24-21(25)26)15-3-2-4-17(23)11-15/h2-12H,1H3
InChIKeyWQCMFOGCUHBLSW-UHFFFAOYSA-N
MW381.26 g/mol
LogP5.57
Rot. Bonds2

About 4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one

4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one (PubChem CID 139899667) has the molecular formula C21H14Cl2N2O and a molecular weight of 381.26 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one
PubChem CID139899667
Molecular FormulaC21H14Cl2N2O
Molecular Weight381.26 g/mol
Exact Mass380.05
IUPAC Name4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one
SMILESCn1c(=O)nc(-c2cccc(Cl)c2)c2cc(-c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H14Cl2N2O/c1-25-19-10-7-14(13-5-8-16(22)9-6-13)12-18(19)20(24-21(25)26)15-3-2-4-17(23)11-15/h2-12H,1H3
InChIKeyWQCMFOGCUHBLSW-UHFFFAOYSA-N
XLogP5.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.26
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(3-chlorophenyl)-1-methylindazole
CID 166430746
4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one
CID 22058094
6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 11452553
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid
CID 45030979
6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one
CID 4713933
6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one
CID 158002363
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one
CID 22626590
4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine
CID 142985463
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
7-chloro-1-methyl-3-phenylquinoxalin-2-one
CID 163364599
8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one
CID 135017230
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
CID 11604992

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one (CID 139899667) is 4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one is Cn1c(=O)nc(-c2cccc(Cl)c2)c2cc(-c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one?
The InChIKey is WQCMFOGCUHBLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O/c1-25-19-10-7-14(13-5-8-16(22)9-6-13)12-18(19)20(24-21(25)26)15-3-2-4-17(23)11-15/h2-12H,1H3.
What are the key properties of 4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one?
4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one has a molecular weight of 381.26 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one is sourced from PubChem (CID 139899667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).