2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one

C11H8F3NO — CID 614881

IUPAC2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1cc(=O)c2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C11H8F3NO/c1-6-4-10(16)8-3-2-7(11(12,13)14)5-9(8)15-6/h2-5H,1H3,(H,15,16)
InChIKeyIIABTAZQWRTZHG-UHFFFAOYSA-N
MW227.18 g/mol
LogP2.86
Rot. Bonds

About 2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one

2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 614881) has the molecular formula C11H8F3NO and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID614881
Molecular FormulaC11H8F3NO
Molecular Weight227.18 g/mol
Exact Mass227.06
IUPAC Name2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1cc(=O)c2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C11H8F3NO/c1-6-4-10(16)8-3-2-7(11(12,13)14)5-9(8)15-6/h2-5H,1H3,(H,15,16)
InChIKeyIIABTAZQWRTZHG-UHFFFAOYSA-N
XLogP2.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-7-(trifluoromethyl)-1H-quinolin-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one (CID 614881) is 2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one is Cc1cc(=O)c2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is IIABTAZQWRTZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-6-4-10(16)8-3-2-7(11(12,13)14)5-9(8)15-6/h2-5H,1H3,(H,15,16).
What are the key properties of 2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one?
2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 227.18 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 614881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).