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

C17H10F6N2O — CID 134118287

IUPAC6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESCc1ccc2nc(C(F)(F)F)n(-c3cccc(C(F)(F)F)c3)c(=O)c2c1
InChIInChI=1S/C17H10F6N2O/c1-9-5-6-13-12(7-9)14(26)25(15(24-13)17(21,22)23)11-4-2-3-10(8-11)16(18,19)20/h2-8H,1H3
InChIKeyIRNYSIHBFAFWHZ-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.73
Rot. Bonds1

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

6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one (PubChem CID 134118287) has the molecular formula C17H10F6N2O and a molecular weight of 372.27 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
PubChem CID134118287
Molecular FormulaC17H10F6N2O
Molecular Weight372.27 g/mol
Exact Mass372.07
IUPAC Name6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESCc1ccc2nc(C(F)(F)F)n(-c3cccc(C(F)(F)F)c3)c(=O)c2c1
InChIInChI=1S/C17H10F6N2O/c1-9-5-6-13-12(7-9)14(26)25(15(24-13)17(21,22)23)11-4-2-3-10(8-11)16(18,19)20/h2-8H,1H3
InChIKeyIRNYSIHBFAFWHZ-UHFFFAOYSA-N
XLogP4.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-iodo-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 1070659
3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one
CID 134427569
6-bromo-2-cyclohexyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 155662684
6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
CID 16641661
3-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-6-methylquinazolin-4-one
CID 52933882
carbon dioxide;7-methyl-2-(5-oxodecyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 157394225
5-hydroxy-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 70267707
2-[1-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]propyl]isoindole-1,3-dione
CID 2972435
2-[(E)-2-pyridin-4-ylethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 6138619
3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
CID 3970898
7-nitro-3-phenyl-2-(trifluoromethyl)quinazolin-4-one
CID 166447364
3-(3,5-dimethylphenyl)-2-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
CID 20966874

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one?
The IUPAC name of 6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one (CID 134118287) is 6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one is Cc1ccc2nc(C(F)(F)F)n(-c3cccc(C(F)(F)F)c3)c(=O)c2c1.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one?
The InChIKey is IRNYSIHBFAFWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O/c1-9-5-6-13-12(7-9)14(26)25(15(24-13)17(21,22)23)11-4-2-3-10(8-11)16(18,19)20/h2-8H,1H3.
What are the key properties of 6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one?
6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one has a molecular weight of 372.27 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 134118287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).