1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one

C12H12F3NO — CID 116932140

IUPAC1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CC(F)(F)F)ccc21
InChIInChI=1S/C12H12F3NO/c1-16-10-4-2-8(7-12(13,14)15)6-9(10)3-5-11(16)17/h2,4,6H,3,5,7H2,1H3
InChIKeyYFKDVPQGNOGXRU-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.70
Rot. Bonds1

About 1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one

1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one (PubChem CID 116932140) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
PubChem CID116932140
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CC(F)(F)F)ccc21
InChIInChI=1S/C12H12F3NO/c1-16-10-4-2-8(7-12(13,14)15)6-9(10)3-5-11(16)17/h2,4,6H,3,5,7H2,1H3
InChIKeyYFKDVPQGNOGXRU-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116928650
6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82190766
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile
CID 115129291
6-(2-amino-1,1-difluoro-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116839401
1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one
CID 159673428
6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 82485649
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one
CID 82479056
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one (CID 116932140) is 1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(CC(F)(F)F)ccc21.
What is the InChIKey of 1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is YFKDVPQGNOGXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-16-10-4-2-8(7-12(13,14)15)6-9(10)3-5-11(16)17/h2,4,6H,3,5,7H2,1H3.
What are the key properties of 1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one?
1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 243.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116932140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).