2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one

C11H9F3N2O — CID 20799409

IUPAC2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one
SMILESCc1nc2ccc(C(F)(F)F)cc2c(=O)n1C
InChIInChI=1S/C11H9F3N2O/c1-6-15-9-4-3-7(11(12,13)14)5-8(9)10(17)16(6)2/h3-5H,1-2H3
InChIKeyFVPMRTIRBNFEBD-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.26
Rot. Bonds

About 2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one

2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one (PubChem CID 20799409) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one
PubChem CID20799409
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one
SMILESCc1nc2ccc(C(F)(F)F)cc2c(=O)n1C
InChIInChI=1S/C11H9F3N2O/c1-6-15-9-4-3-7(11(12,13)14)5-8(9)10(17)16(6)2/h3-5H,1-2H3
InChIKeyFVPMRTIRBNFEBD-UHFFFAOYSA-N
XLogP2.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one (CID 20799409) is 2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one is Cc1nc2ccc(C(F)(F)F)cc2c(=O)n1C.
What is the InChIKey of 2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one?
The InChIKey is FVPMRTIRBNFEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6-15-9-4-3-7(11(12,13)14)5-8(9)10(17)16(6)2/h3-5H,1-2H3.
What are the key properties of 2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one?
2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one has a molecular weight of 242.20 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 20799409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).