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

C11H8F3NO — CID 2775088

IUPAC6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(C(F)(F)F)cc(=O)c2c1
InChIInChI=1S/C11H8F3NO/c1-6-2-3-8-7(4-6)9(16)5-10(15-8)11(12,13)14/h2-5H,1H3,(H,15,16)
InChIKeyUNVMZLUVACVTDT-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.86
Rot. Bonds

About 6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one

6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 2775088) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID2775088
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(C(F)(F)F)cc(=O)c2c1
InChIInChI=1S/C11H8F3NO/c1-6-2-3-8-7(4-6)9(16)5-10(15-8)11(12,13)14/h2-5H,1H3,(H,15,16)
InChIKeyUNVMZLUVACVTDT-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 ≤ 500227.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Hydroxyquinoline
CID 69141
Acridone
CID 2015
2-Heptyl-4-hydroxyquinoline
CID 164974
2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
2-Methylquinolin-4-ol
CID 69089
2-Phenyl-4-oxohydroquinoline
CID 161091
Aurachin D
CID 6124753
2-Undecyl-4(1H)-quinolone
CID 10063343
2-Methyl-acridone
CID 419818
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590
N-(4-Acetylphenyl)-2,2,2-trifluoroacetamide
CID 32487
7-(Trifluorophenyl)quinolin-4-ol
CID 67582

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one (CID 2775088) is 6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one is Cc1ccc2[nH]c(C(F)(F)F)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is UNVMZLUVACVTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-6-2-3-8-7(4-6)9(16)5-10(15-8)11(12,13)14/h2-5H,1H3,(H,15,16).
What are the key properties of 6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 227.19 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 6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 2775088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).