2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one

C16H9ClF4N2O — CID 57425455

IUPAC2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(Cl)n1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H9ClF4N2O/c17-15-22-13-6-5-10(18)7-11(13)14(24)23(15)8-9-3-1-2-4-12(9)16(19,20)21/h1-7H,8H2
InChIKeyBFPKYURZJADNQY-UHFFFAOYSA-N
MW356.71 g/mol
LogP4.26
Rot. Bonds2

About 2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one

2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one (PubChem CID 57425455) has the molecular formula C16H9ClF4N2O and a molecular weight of 356.71 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
PubChem CID57425455
Molecular FormulaC16H9ClF4N2O
Molecular Weight356.71 g/mol
Exact Mass356.03
IUPAC Name2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(Cl)n1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H9ClF4N2O/c17-15-22-13-6-5-10(18)7-11(13)14(24)23(15)8-9-3-1-2-4-12(9)16(19,20)21/h1-7H,8H2
InChIKeyBFPKYURZJADNQY-UHFFFAOYSA-N
XLogP4.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.71
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one?
The IUPAC name of 2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one (CID 57425455) is 2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one.
What is the SMILES notation for 2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one?
The canonical SMILES for 2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one is O=c1c2cc(F)ccc2nc(Cl)n1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one?
The InChIKey is BFPKYURZJADNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF4N2O/c17-15-22-13-6-5-10(18)7-11(13)14(24)23(15)8-9-3-1-2-4-12(9)16(19,20)21/h1-7H,8H2.
What are the key properties of 2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one?
2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one has a molecular weight of 356.71 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one is sourced from PubChem (CID 57425455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).