2,3-bis(4-bromophenyl)quinazolin-4-one

C20H12Br2N2O — CID 3707353

IUPAC2,3-bis(4-bromophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(Br)cc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C20H12Br2N2O/c21-14-7-5-13(6-8-14)19-23-18-4-2-1-3-17(18)20(25)24(19)16-11-9-15(22)10-12-16/h1-12H
InChIKeyYFOKGCGVOGRSTA-UHFFFAOYSA-N
MW456.14 g/mol
LogP5.58
Rot. Bonds2

About 2,3-bis(4-bromophenyl)quinazolin-4-one

2,3-bis(4-bromophenyl)quinazolin-4-one (PubChem CID 3707353) has the molecular formula C20H12Br2N2O and a molecular weight of 456.14 g/mol. Its IUPAC name is 2,3-bis(4-bromophenyl)quinazolin-4-one.

Molecular Properties

Compound Name2,3-bis(4-bromophenyl)quinazolin-4-one
PubChem CID3707353
Molecular FormulaC20H12Br2N2O
Molecular Weight456.14 g/mol
Exact Mass453.93
IUPAC Name2,3-bis(4-bromophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(Br)cc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C20H12Br2N2O/c21-14-7-5-13(6-8-14)19-23-18-4-2-1-3-17(18)20(25)24(19)16-11-9-15(22)10-12-16/h1-12H
InChIKeyYFOKGCGVOGRSTA-UHFFFAOYSA-N
XLogP5.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.14
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
3-amino-2-(4-bromophenyl)quinazolin-4-one
CID 3604136
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-(4-nitrophenyl)-2-phenylquinazolin-4-one
CID 921318
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-bromophenyl)quinazolin-4-one?
The IUPAC name of 2,3-bis(4-bromophenyl)quinazolin-4-one (CID 3707353) is 2,3-bis(4-bromophenyl)quinazolin-4-one.
What is the SMILES notation for 2,3-bis(4-bromophenyl)quinazolin-4-one?
The canonical SMILES for 2,3-bis(4-bromophenyl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1-c1ccc(Br)cc1.
What is the InChIKey of 2,3-bis(4-bromophenyl)quinazolin-4-one?
The InChIKey is YFOKGCGVOGRSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2N2O/c21-14-7-5-13(6-8-14)19-23-18-4-2-1-3-17(18)20(25)24(19)16-11-9-15(22)10-12-16/h1-12H.
What are the key properties of 2,3-bis(4-bromophenyl)quinazolin-4-one?
2,3-bis(4-bromophenyl)quinazolin-4-one has a molecular weight of 456.14 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-bromophenyl)quinazolin-4-one is sourced from PubChem (CID 3707353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).