2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one

C15H9ClF2N2O — CID 61064933

IUPAC2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(CCl)n1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H9ClF2N2O/c16-8-14-19-13-4-2-1-3-12(13)15(21)20(14)11-6-9(17)5-10(18)7-11/h1-7H,8H2
InChIKeyLEJNHNHSMGXHBD-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.40
Rot. Bonds2

About 2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one

2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one (PubChem CID 61064933) has the molecular formula C15H9ClF2N2O and a molecular weight of 306.70 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one
PubChem CID61064933
Molecular FormulaC15H9ClF2N2O
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(CCl)n1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H9ClF2N2O/c16-8-14-19-13-4-2-1-3-12(13)15(21)20(14)11-6-9(17)5-10(18)7-11/h1-7H,8H2
InChIKeyLEJNHNHSMGXHBD-UHFFFAOYSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-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-(chloromethyl)-3-(4-fluoro-3-methylphenyl)quinazolin-4-one
CID 62812753
3-(2-chloro-4-fluorophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61064406
3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61065103
2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one
CID 61064059
2-(chloromethyl)-3-hydroxyquinazolin-4-one
CID 15359769
2-(azepan-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one
CID 991488
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one
CID 21216044
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-[(3,5-difluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 51365622
N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide
CID 110294904
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one?
The IUPAC name of 2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one (CID 61064933) is 2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one.
What is the SMILES notation for 2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one?
The canonical SMILES for 2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one is O=c1c2ccccc2nc(CCl)n1-c1cc(F)cc(F)c1.
What is the InChIKey of 2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one?
The InChIKey is LEJNHNHSMGXHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O/c16-8-14-19-13-4-2-1-3-12(13)15(21)20(14)11-6-9(17)5-10(18)7-11/h1-7H,8H2.
What are the key properties of 2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one?
2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one has a molecular weight of 306.70 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one is sourced from PubChem (CID 61064933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).