2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one

C10H7F3N2O — CID 76831073

IUPAC2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC(C(F)(F)F)C=CC2=N1
InChIInChI=1S/C10H7F3N2O/c1-5-14-8-3-2-6(10(11,12)13)4-7(8)9(16)15-5/h2-4,6H,1H3
InChIKeyDKIYNKFEKYRLOW-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.06
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one

2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one (PubChem CID 76831073) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one
PubChem CID76831073
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC(C(F)(F)F)C=CC2=N1
InChIInChI=1S/C10H7F3N2O/c1-5-14-8-3-2-6(10(11,12)13)4-7(8)9(16)15-5/h2-4,6H,1H3
InChIKeyDKIYNKFEKYRLOW-UHFFFAOYSA-N
XLogP2.06
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-6H-quinazolin-4-one
CID 90958016
2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
6-fluoro-6H-quinazolin-4-one
CID 71303964
5,8-difluoro-2-methyl-8H-quinazolin-4-one
CID 73414900
6-chloro-2-(trifluoromethyl)-6H-quinazolin-4-one
CID 73741546
5-methyl-2-(trifluoromethyl)-4aH-quinazolin-4-one
CID 73866466
2-(trifluoromethyl)-4aH-quinazolin-4-one
CID 73882502
6-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
5,6-difluoro-6H-quinazolin-4-one
CID 78166508
ethyl 4-oxo-2-(trifluoromethyl)-6H-quinazoline-6-carboxylate
CID 78206613
3-methyl-7-(trifluoromethyl)-7H-isoquinolin-1-one
CID 156594793
6H-quinazolin-4-one
CID 165178648

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one (CID 76831073) is 2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one is CC1=NC(=O)C2=CC(C(F)(F)F)C=CC2=N1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one?
The InChIKey is DKIYNKFEKYRLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-5-14-8-3-2-6(10(11,12)13)4-7(8)9(16)15-5/h2-4,6H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one?
2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one has a molecular weight of 228.17 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one is sourced from PubChem (CID 76831073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).