3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one

C15H6ClF5N2O — CID 141291009

IUPAC3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one
SMILESO=c1c2c(F)c(F)c(C(F)(F)F)cc2ncn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H6ClF5N2O/c16-7-1-3-8(4-2-7)23-6-22-10-5-9(15(19,20)21)12(17)13(18)11(10)14(23)24/h1-6H
InChIKeySZIOYFDHTUZFBO-UHFFFAOYSA-N
MW360.67 g/mol
LogP4.34
Rot. Bonds1

About 3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one

3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one (PubChem CID 141291009) has the molecular formula C15H6ClF5N2O and a molecular weight of 360.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one
PubChem CID141291009
Molecular FormulaC15H6ClF5N2O
Molecular Weight360.67 g/mol
Exact Mass360.01
IUPAC Name3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one
SMILESO=c1c2c(F)c(F)c(C(F)(F)F)cc2ncn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H6ClF5N2O/c16-7-1-3-8(4-2-7)23-6-22-10-5-9(15(19,20)21)12(17)13(18)11(10)14(23)24/h1-6H
InChIKeySZIOYFDHTUZFBO-UHFFFAOYSA-N
XLogP4.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.67
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)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

7-chloro-3-(4-methylphenyl)quinazolin-4-one
CID 11334739
7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 121004988
5-hydroxy-3-(4-hydroxyphenyl)-7-methoxyquinazolin-4-one
CID 10379126
3-[3,5-bis(trifluoromethyl)phenyl]quinazolin-4-one
CID 3116934
6-[2-(dimethylamino)ethyl-methylamino]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 139668197
5-ethyl-7-hydroxy-3-(4-methylphenyl)quinazolin-4-one
CID 59837928
6-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 139668161
1-[4-(6-chloro-5-methylpyridazin-3-yl)phenyl]-5,7-bis(trifluoromethyl)benzimidazole
CID 158157758
7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 11644885
5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 151815045
6-(4-chlorophenyl)-3-[6-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one
CID 16718646
5-(bromomethyl)-7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
CID 11508494

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one (CID 141291009) is 3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one is O=c1c2c(F)c(F)c(C(F)(F)F)cc2ncn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one?
The InChIKey is SZIOYFDHTUZFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF5N2O/c16-7-1-3-8(4-2-7)23-6-22-10-5-9(15(19,20)21)12(17)13(18)11(10)14(23)24/h1-6H.
What are the key properties of 3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one?
3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one has a molecular weight of 360.67 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,6-difluoro-7-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 141291009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).