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

C15H10BrFN2O — CID 172568153

IUPAC3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2ccc(F)cc2c(=O)n1-c1cccc(Br)c1
InChIInChI=1S/C15H10BrFN2O/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
InChIKeyHLISLBJWKUMEJW-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.60
Rot. Bonds1

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

3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one (PubChem CID 172568153) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
PubChem CID172568153
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2ccc(F)cc2c(=O)n1-c1cccc(Br)c1
InChIInChI=1S/C15H10BrFN2O/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
InChIKeyHLISLBJWKUMEJW-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
CID 823527
6-fluoro-2-methyl-3-pyridin-3-ylquinazolin-4-one
CID 134445912
3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 171649552
7-fluoro-3-(3-hydroxyphenyl)-2-methylquinazolin-4-one
CID 166524233
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
6-iodo-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 1070659
2-[(1S)-1-aminopropyl]-6-fluoro-3-(3-fluorophenyl)quinazolin-4-one
CID 90235392
N-(4,6-dimethylpyrimidin-2-yl)-4-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide
CID 127049212
3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61065103
3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one
CID 134427569
6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870
3-(3-bromophenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82308012

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one?
The IUPAC name of 3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one (CID 172568153) is 3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one?
The canonical SMILES for 3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one is Cc1nc2ccc(F)cc2c(=O)n1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one?
The InChIKey is HLISLBJWKUMEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/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-fluoro-2-methylquinazolin-4-one?
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one has a molecular weight of 333.16 g/mol, XLogP of 3.60, 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-fluoro-2-methylquinazolin-4-one is sourced from PubChem (CID 172568153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).