7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one

C20H12BrClN2O — CID 155671998

IUPAC7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one
SMILESO=c1c2ccc(Br)cc2nc(-c2ccccc2Cl)n1-c1ccccc1
InChIInChI=1S/C20H12BrClN2O/c21-13-10-11-16-18(12-13)23-19(15-8-4-5-9-17(15)22)24(20(16)25)14-6-2-1-3-7-14/h1-12H
InChIKeyHXOFHEOVVMVNMG-UHFFFAOYSA-N
MW411.69 g/mol
LogP5.47
Rot. Bonds2

About 7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one

7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one (PubChem CID 155671998) has the molecular formula C20H12BrClN2O and a molecular weight of 411.69 g/mol. Its IUPAC name is 7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one
PubChem CID155671998
Molecular FormulaC20H12BrClN2O
Molecular Weight411.69 g/mol
Exact Mass409.98
IUPAC Name7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one
SMILESO=c1c2ccc(Br)cc2nc(-c2ccccc2Cl)n1-c1ccccc1
InChIInChI=1S/C20H12BrClN2O/c21-13-10-11-16-18(12-13)23-19(15-8-4-5-9-17(15)22)24(20(16)25)14-6-2-1-3-7-14/h1-12H
InChIKeyHXOFHEOVVMVNMG-UHFFFAOYSA-N
XLogP5.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.69
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one
CID 155671969
7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one
CID 86100859
2-(2-chlorophenyl)-3-(2-hydroxyphenyl)quinazolin-4-one
CID 716325
2-(2-chlorophenyl)-5-fluoro-3-phenylquinazolin-4-one
CID 155671982
2-(4-bromo-2-chlorophenyl)-7-chloro-3-(3-fluoro-4-methylphenyl)quinazolin-4-one
CID 11712674
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
2-(2-chlorophenyl)-3-cyclopentyl-7-fluoroquinazolin-4-one
CID 155671981
1-(2-chlorophenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 42597297
2-(5,10-dibromo-3-phenylphenanthro[9,10-d]imidazol-2-yl)phenol
CID 142611847
2-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-(2-chlorophenyl)quinazolin-4-one
CID 2921515
6-bromo-3-(2-chlorophenyl)-2-hydrazinylquinazolin-4-one
CID 13357174

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one?
The IUPAC name of 7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one (CID 155671998) is 7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one.
What is the SMILES notation for 7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one?
The canonical SMILES for 7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one is O=c1c2ccc(Br)cc2nc(-c2ccccc2Cl)n1-c1ccccc1.
What is the InChIKey of 7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one?
The InChIKey is HXOFHEOVVMVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClN2O/c21-13-10-11-16-18(12-13)23-19(15-8-4-5-9-17(15)22)24(20(16)25)14-6-2-1-3-7-14/h1-12H.
What are the key properties of 7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one?
7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one has a molecular weight of 411.69 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 155671998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).