3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one

C11H8F3NO — CID 171372916

IUPAC3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one
SMILESCC1C=Nc2ccc(C(F)(F)F)cc2C1=O
InChIInChI=1S/C11H8F3NO/c1-6-5-15-9-3-2-7(11(12,13)14)4-8(9)10(6)16/h2-6H,1H3
InChIKeyVZKFFAVXDCMOQE-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.24
Rot. Bonds

About 3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one

3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one (PubChem CID 171372916) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one
PubChem CID171372916
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one
SMILESCC1C=Nc2ccc(C(F)(F)F)cc2C1=O
InChIInChI=1S/C11H8F3NO/c1-6-5-15-9-3-2-7(11(12,13)14)4-8(9)10(6)16/h2-6H,1H3
InChIKeyVZKFFAVXDCMOQE-UHFFFAOYSA-N
XLogP3.24
TPSA29.43 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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-7-(trifluoromethyl)-3H-quinolin-4-one
CID 171372912
3,8-dimethyl-6-(trifluoromethyl)-3H-quinolin-4-one
CID 171373182
8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one
CID 171373017
7-(trifluoromethyl)-3,5-dihydro-4,1-benzothiazepine-3-carboxylic acid
CID 57323668
2-propyl-6-(trifluoromethyl)-1-benzofuran-3-one
CID 172506984
8-iodo-3-methyl-5-(trifluoromethyl)-3H-quinolin-4-one
CID 171373043
6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 140995294
6-bromo-8-tert-butyl-3-methyl-3H-quinolin-4-one
CID 171373147
(3R)-3-bromo-7-(trifluoromethyl)-2,3-dihydrochromen-4-one
CID 177204866
4-methyl-6-(trifluoromethyl)-1H-carbazole
CID 154020823
6-tert-butyl-3H-quinolin-4-one
CID 58588580
2-(2-methoxyphenyl)-5-(trifluoromethyl)indene-1,3-dione
CID 154353850

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one?
The IUPAC name of 3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one (CID 171372916) is 3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one is CC1C=Nc2ccc(C(F)(F)F)cc2C1=O.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one?
The InChIKey is VZKFFAVXDCMOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-6-5-15-9-3-2-7(11(12,13)14)4-8(9)10(6)16/h2-6H,1H3.
What are the key properties of 3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one?
3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one has a molecular weight of 227.19 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one is sourced from PubChem (CID 171372916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).