2-bromo-5-fluoro-3-methylquinazolin-4-one

C9H6BrFN2O — CID 175890826

IUPAC2-bromo-5-fluoro-3-methylquinazolin-4-one
SMILESCn1c(Br)nc2cccc(F)c2c1=O
InChIInChI=1S/C9H6BrFN2O/c1-13-8(14)7-5(11)3-2-4-6(7)12-9(13)10/h2-4H,1H3
InChIKeyZWMQUFNBJMUGJA-UHFFFAOYSA-N
MW257.06 g/mol
LogP1.84
Rot. Bonds

About 2-bromo-5-fluoro-3-methylquinazolin-4-one

2-bromo-5-fluoro-3-methylquinazolin-4-one (PubChem CID 175890826) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 2-bromo-5-fluoro-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-bromo-5-fluoro-3-methylquinazolin-4-one
PubChem CID175890826
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name2-bromo-5-fluoro-3-methylquinazolin-4-one
SMILESCn1c(Br)nc2cccc(F)c2c1=O
InChIInChI=1S/C9H6BrFN2O/c1-13-8(14)7-5(11)3-2-4-6(7)12-9(13)10/h2-4H,1H3
InChIKeyZWMQUFNBJMUGJA-UHFFFAOYSA-N
XLogP1.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-fluoro-3-methylquinazolin-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-bromo-7-fluoro-1-methylbenzimidazole
CID 83840138
2-(cyclopropylmethylsulfanyl)-5-fluoro-3-methylquinazolin-4-one
CID 131704140
2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one
CID 117263425
3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835217
5-fluoro-2-methyl-3H-quinazolin-4-one
CID 135438096
3,4,5-trifluoro-2-methylquinoline
CID 54570448
4,5-difluoro-2-methylquinazoline
CID 141141506
2-[(1S)-1-aminoethyl]-3-(3,5-dichlorophenyl)-5-fluoroquinazolin-4-one
CID 90235762
2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one
CID 144894826
lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate
CID 139035725
3-bromo-4-fluoro-1,2-dimethylindole
CID 84703117
10-amino-8-fluoro-3-azatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-12-one
CID 15728817

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-3-methylquinazolin-4-one?
The IUPAC name of 2-bromo-5-fluoro-3-methylquinazolin-4-one (CID 175890826) is 2-bromo-5-fluoro-3-methylquinazolin-4-one.
What is the SMILES notation for 2-bromo-5-fluoro-3-methylquinazolin-4-one?
The canonical SMILES for 2-bromo-5-fluoro-3-methylquinazolin-4-one is Cn1c(Br)nc2cccc(F)c2c1=O.
What is the InChIKey of 2-bromo-5-fluoro-3-methylquinazolin-4-one?
The InChIKey is ZWMQUFNBJMUGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c1-13-8(14)7-5(11)3-2-4-6(7)12-9(13)10/h2-4H,1H3.
What are the key properties of 2-bromo-5-fluoro-3-methylquinazolin-4-one?
2-bromo-5-fluoro-3-methylquinazolin-4-one has a molecular weight of 257.06 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-3-methylquinazolin-4-one is sourced from PubChem (CID 175890826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).