2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one

C16H12BrFN2O2 — CID 91540274

IUPAC2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one
SMILESCC(Br)c1nc2cccc(O)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H12BrFN2O2/c1-9(17)15-19-12-3-2-4-13(21)14(12)16(22)20(15)11-7-5-10(18)6-8-11/h2-9,21H,1H3
InChIKeyJINKMMOXBYSYBW-UHFFFAOYSA-N
MW363.19 g/mol
LogP3.69
Rot. Bonds2

About 2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one

2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one (PubChem CID 91540274) has the molecular formula C16H12BrFN2O2 and a molecular weight of 363.19 g/mol. Its IUPAC name is 2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one.

Molecular Properties

Compound Name2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one
PubChem CID91540274
Molecular FormulaC16H12BrFN2O2
Molecular Weight363.19 g/mol
Exact Mass362.01
IUPAC Name2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one
SMILESCC(Br)c1nc2cccc(O)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H12BrFN2O2/c1-9(17)15-19-12-3-2-4-13(21)14(12)16(22)20(15)11-7-5-10(18)6-8-11/h2-9,21H,1H3
InChIKeyJINKMMOXBYSYBW-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-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-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one
CID 90235944
2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
CID 58601638
N-[1-[5-fluoro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)-N-propylacetamide
CID 23579300
2-[(1S)-1-(butylamino)ethyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 7481861
2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one
CID 144894826
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N,3-dimethylbutanamide
CID 42716375
[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate
CID 121455170
2-(1-aminoethyl)-3-[3-(difluoromethyl)phenyl]-5-fluoroquinazolin-4-one
CID 90235829
2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride
CID 155191430
2-[(1S)-1-aminoethyl]-5-(difluoromethyl)-3-phenylquinazolin-4-one
CID 90232930
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluoro-N-(2-methylpropyl)benzamide
CID 42715967
2-(1-aminoethyl)-3-(3,5-difluorophenyl)-5-(trifluoromethyl)quinazolin-4-one
CID 90233051

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one?
The IUPAC name of 2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one (CID 91540274) is 2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one.
What is the SMILES notation for 2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one?
The canonical SMILES for 2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one is CC(Br)c1nc2cccc(O)c2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one?
The InChIKey is JINKMMOXBYSYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2/c1-9(17)15-19-12-3-2-4-13(21)14(12)16(22)20(15)11-7-5-10(18)6-8-11/h2-9,21H,1H3.
What are the key properties of 2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one?
2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one has a molecular weight of 363.19 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-3-(4-fluorophenyl)-5-hydroxyquinazolin-4-one is sourced from PubChem (CID 91540274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).