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

C16H11F3N2O — CID 166273309

IUPAC3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESCn1cnc2ccc(-c3ccccc3C(F)(F)F)cc2c1=O
InChIInChI=1S/C16H11F3N2O/c1-21-9-20-14-7-6-10(8-12(14)15(21)22)11-4-2-3-5-13(11)16(17,18)19/h2-9H,1H3
InChIKeyVNALBEIIVSPSBG-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.62
Rot. Bonds1

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

3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one (PubChem CID 166273309) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one
PubChem CID166273309
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESCn1cnc2ccc(-c3ccccc3C(F)(F)F)cc2c1=O
InChIInChI=1S/C16H11F3N2O/c1-21-9-20-14-7-6-10(8-12(14)15(21)22)11-4-2-3-5-13(11)16(17,18)19/h2-9H,1H3
InChIKeyVNALBEIIVSPSBG-UHFFFAOYSA-N
XLogP3.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-one
CID 164522423
6-tert-butyl-3-methylquinazolin-4-one
CID 59391740
3-amino-1-methyl-5-[2-(trifluoromethyl)phenyl]pyridin-2-one
CID 117222134
5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole
CID 123601065
[5-(3-methyl-4-oxoquinazolin-6-yl)-3-phenylpyrazol-1-yl]methyl benzoate
CID 175730827
3-methyl-6-[2-(trifluoromethyl)phenyl]-2H-indazole
CID 70796358
3-(2-methylphenyl)-6-[2-(trifluoromethyl)phenyl]phenanthrene-9,10-dione
CID 58301297
2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine
CID 126582882
4-[[3-(3-methyl-4-oxoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]benzamide
CID 175731038
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
2,4,5,12-tetramethyl-9-[2-(trifluoromethyl)phenyl]quinolino[2,3-b]acridine-7,14-dione
CID 138622461

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one?
The IUPAC name of 3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one (CID 166273309) is 3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one?
The canonical SMILES for 3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one is Cn1cnc2ccc(-c3ccccc3C(F)(F)F)cc2c1=O.
What is the InChIKey of 3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one?
The InChIKey is VNALBEIIVSPSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c1-21-9-20-14-7-6-10(8-12(14)15(21)22)11-4-2-3-5-13(11)16(17,18)19/h2-9H,1H3.
What are the key properties of 3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one?
3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one has a molecular weight of 304.27 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 166273309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).