3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one

C17H13F3N2O — CID 144835217

IUPAC3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one
SMILESCCCc1nc2cccc(F)c2c(=O)n1-c1c(F)cccc1F
InChIInChI=1S/C17H13F3N2O/c1-2-5-14-21-13-9-4-6-10(18)15(13)17(23)22(14)16-11(19)7-3-8-12(16)20/h3-4,6-9H,2,5H2,1H3
InChIKeyRMLRPBJKIXFBIK-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.76
Rot. Bonds3

About 3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one

3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one (PubChem CID 144835217) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one
PubChem CID144835217
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one
SMILESCCCc1nc2cccc(F)c2c(=O)n1-c1c(F)cccc1F
InChIInChI=1S/C17H13F3N2O/c1-2-5-14-21-13-9-4-6-10(18)15(13)17(23)22(14)16-11(19)7-3-8-12(16)20/h3-4,6-9H,2,5H2,1H3
InChIKeyRMLRPBJKIXFBIK-UHFFFAOYSA-N
XLogP3.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-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

5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one
CID 118493670
3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835112
3-(2,6-difluorophenyl)-2-ethyl-5-fluoroquinazolin-4-one;7H-purin-6-amine
CID 144835464
5-bromo-3-phenyl-2-propylquinazolin-4-one
CID 142506267
1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine
CID 62506849
3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835287
2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 90236609
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-butyl-5-fluoro-3H-quinazolin-4-one
CID 137190136
3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one
CID 134364823
6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one
CID 1302543
2-bromo-5-fluoro-3-methylquinazolin-4-one
CID 175890826

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one?
The IUPAC name of 3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one (CID 144835217) is 3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one.
What is the SMILES notation for 3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one?
The canonical SMILES for 3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one is CCCc1nc2cccc(F)c2c(=O)n1-c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one?
The InChIKey is RMLRPBJKIXFBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-2-5-14-21-13-9-4-6-10(18)15(13)17(23)22(14)16-11(19)7-3-8-12(16)20/h3-4,6-9H,2,5H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one?
3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one has a molecular weight of 318.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one is sourced from PubChem (CID 144835217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).