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

C11H8F3NO — CID 15135047

IUPAC1-methyl-2-(trifluoromethyl)quinolin-4-one
SMILESCn1c(C(F)(F)F)cc(=O)c2ccccc21
InChIInChI=1S/C11H8F3NO/c1-15-8-5-3-2-4-7(8)9(16)6-10(15)11(12,13)14/h2-6H,1H3
InChIKeyBTNVTJCFFUGWGH-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.56
Rot. Bonds

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

1-methyl-2-(trifluoromethyl)quinolin-4-one (PubChem CID 15135047) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)quinolin-4-one.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)quinolin-4-one
PubChem CID15135047
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name1-methyl-2-(trifluoromethyl)quinolin-4-one
SMILESCn1c(C(F)(F)F)cc(=O)c2ccccc21
InChIInChI=1S/C11H8F3NO/c1-15-8-5-3-2-4-7(8)9(16)6-10(15)11(12,13)14/h2-6H,1H3
InChIKeyBTNVTJCFFUGWGH-UHFFFAOYSA-N
XLogP2.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Flosequinan
CID 4474062
4-Hydroxyquinoline
CID 69141
2-Heptyl-4-hydroxyquinoline
CID 164974
N-Methylacridone
CID 69751
2-Phenyl-4-oxohydroquinoline
CID 161091
2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
1-Methyl-4-quinolone
CID 6748
2-Methylquinolin-4-ol
CID 69089
7-(Trifluorophenyl)quinolin-4-ol
CID 67582
4-Dimethylaminochalcone
CID 5377268
4-Dimethylaminoacetophenone
CID 75037
Aurachin D
CID 6124753

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)quinolin-4-one?
The IUPAC name of 1-methyl-2-(trifluoromethyl)quinolin-4-one (CID 15135047) is 1-methyl-2-(trifluoromethyl)quinolin-4-one.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)quinolin-4-one?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)quinolin-4-one is Cn1c(C(F)(F)F)cc(=O)c2ccccc21.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)quinolin-4-one?
The InChIKey is BTNVTJCFFUGWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-15-8-5-3-2-4-7(8)9(16)6-10(15)11(12,13)14/h2-6H,1H3.
What are the key properties of 1-methyl-2-(trifluoromethyl)quinolin-4-one?
1-methyl-2-(trifluoromethyl)quinolin-4-one has a molecular weight of 227.19 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)quinolin-4-one is sourced from PubChem (CID 15135047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).