3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one

C15H10BrClN2O — CID 823527

IUPAC3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
SMILESCc1nc2ccc(Cl)cc2c(=O)n1-c1cccc(Br)c1
InChIInChI=1S/C15H10BrClN2O/c1-9-18-14-6-5-11(17)8-13(14)15(20)19(9)12-4-2-3-10(16)7-12/h2-8H,1H3
InChIKeyRTWQMEZBOXWRAN-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.11
Rot. Bonds1

About 3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one

3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one (PubChem CID 823527) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
PubChem CID823527
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
SMILESCc1nc2ccc(Cl)cc2c(=O)n1-c1cccc(Br)c1
InChIInChI=1S/C15H10BrClN2O/c1-9-18-14-6-5-11(17)8-13(14)15(20)19(9)12-4-2-3-10(16)7-12/h2-8H,1H3
InChIKeyRTWQMEZBOXWRAN-UHFFFAOYSA-N
XLogP4.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153
3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61065103
6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one
CID 11014381
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one
CID 86100859
8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione
CID 86003970
1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine
CID 113316148
3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82308012
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294888
5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077291
6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 74406616
6-iodo-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 1070659

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one?
The IUPAC name of 3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one (CID 823527) is 3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one?
The canonical SMILES for 3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one is Cc1nc2ccc(Cl)cc2c(=O)n1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one?
The InChIKey is RTWQMEZBOXWRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c1-9-18-14-6-5-11(17)8-13(14)15(20)19(9)12-4-2-3-10(16)7-12/h2-8H,1H3.
What are the key properties of 3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one?
3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one has a molecular weight of 349.62 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one is sourced from PubChem (CID 823527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).