3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one

C24H14F6N2O — CID 3525240

IUPAC3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2ccc(C(F)(F)F)cc2)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C24H14F6N2O/c25-23(26,27)16-12-9-15(10-13-16)11-14-21-31-19-7-3-1-5-17(19)22(33)32(21)20-8-4-2-6-18(20)24(28,29)30/h1-14H
InChIKeyDXJGWZHRNBHZSS-UHFFFAOYSA-N
MW460.38 g/mol
LogP6.59
Rot. Bonds3

About 3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one

3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one (PubChem CID 3525240) has the molecular formula C24H14F6N2O and a molecular weight of 460.38 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
PubChem CID3525240
Molecular FormulaC24H14F6N2O
Molecular Weight460.38 g/mol
Exact Mass460.10
IUPAC Name3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2ccc(C(F)(F)F)cc2)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C24H14F6N2O/c25-23(26,27)16-12-9-15(10-13-16)11-14-21-31-19-7-3-1-5-17(19)22(33)32(21)20-8-4-2-6-18(20)24(28,29)30/h1-14H
InChIKeyDXJGWZHRNBHZSS-UHFFFAOYSA-N
XLogP6.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.38
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]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-[(E)-2-pyridin-4-ylethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 6138619
2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 154463151
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6306933
3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 15994969
3-(2-fluorophenyl)-2-[(Z)-2-(2-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966945
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 3096423
3-(2-bromo-4-methylphenyl)-2-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
CID 20966868
3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 2902132
3-(3,5-dimethylphenyl)-2-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
CID 20966874
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 135419107
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 135549536

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one (CID 3525240) is 3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one is O=c1c2ccccc2nc(C=Cc2ccc(C(F)(F)F)cc2)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one?
The InChIKey is DXJGWZHRNBHZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6N2O/c25-23(26,27)16-12-9-15(10-13-16)11-14-21-31-19-7-3-1-5-17(19)22(33)32(21)20-8-4-2-6-18(20)24(28,29)30/h1-14H.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one?
3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one has a molecular weight of 460.38 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one is sourced from PubChem (CID 3525240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).