6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one

C15H10Br2N2O — CID 3414977

IUPAC6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1ccc(Br)cc1
InChIInChI=1S/C15H10Br2N2O/c16-11-3-1-10(2-4-11)8-19-9-18-14-6-5-12(17)7-13(14)15(19)20/h1-7,9H,8H2
InChIKeyKMOLCAFZKWUFHV-UHFFFAOYSA-N
MW394.07 g/mol
LogP3.97
Rot. Bonds2

About 6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one

6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one (PubChem CID 3414977) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
PubChem CID3414977
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1ccc(Br)cc1
InChIInChI=1S/C15H10Br2N2O/c16-11-3-1-10(2-4-11)8-19-9-18-14-6-5-12(17)7-13(14)15(19)20/h1-7,9H,8H2
InChIKeyKMOLCAFZKWUFHV-UHFFFAOYSA-N
XLogP3.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
3-[(4-aminophenyl)methyl]-6-bromoquinazolin-4-one
CID 62055159
4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 4531532
6-bromo-3-[(5-chlorothiophen-2-yl)methyl]quinazolin-4-one
CID 47112822
6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 829638
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
6-bromo-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 7488391
6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one
CID 17409122
6-bromo-3-[(2-bromo-4-fluorophenyl)methyl]quinazolin-4-one
CID 24596463
6-bromo-3-[(4-tert-butyl-2,6-dimethylphenyl)methyl]quinazolin-4-one
CID 7488425
6-bromo-3-[(2,2-dichlorocyclopropyl)methyl]quinazolin-4-one
CID 16619810
6-bromo-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-one
CID 55923744

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one (CID 3414977) is 6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one is O=c1c2cc(Br)ccc2ncn1Cc1ccc(Br)cc1.
What is the InChIKey of 6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one?
The InChIKey is KMOLCAFZKWUFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c16-11-3-1-10(2-4-11)8-19-9-18-14-6-5-12(17)7-13(14)15(19)20/h1-7,9H,8H2.
What are the key properties of 6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one?
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one has a molecular weight of 394.07 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 3414977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).