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

C11H10F3NOS — CID 159673428

IUPAC1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(SC(F)(F)F)ccc21
InChIInChI=1S/C11H10F3NOS/c1-15-9-4-3-8(17-11(12,13)14)6-7(9)2-5-10(15)16/h3-4,6H,2,5H2,1H3
InChIKeyMUHDEKFPRASFBI-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.21
Rot. Bonds1

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

1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one (PubChem CID 159673428) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one
PubChem CID159673428
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Name1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(SC(F)(F)F)ccc21
InChIInChI=1S/C11H10F3NOS/c1-15-9-4-3-8(17-11(12,13)14)6-7(9)2-5-10(15)16/h3-4,6H,2,5H2,1H3
InChIKeyMUHDEKFPRASFBI-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-amino-1,1-difluoro-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116839401
1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
CID 116932140
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
6-(1-bromo-2,2,3,3-tetrafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 79660832
6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312742
1-methyl-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydroquinolin-2-one
CID 63105598
6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107266
3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid
CID 79829837
1-methyl-6-[(1-methyl-2-sulfanylidene-3,4-dihydroquinolin-6-yl)disulfanyl]-3,4-dihydroquinoline-2-thione
CID 54427721
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116928650
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116942089

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one (CID 159673428) is 1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(SC(F)(F)F)ccc21.
What is the InChIKey of 1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one?
The InChIKey is MUHDEKFPRASFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c1-15-9-4-3-8(17-11(12,13)14)6-7(9)2-5-10(15)16/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one?
1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one has a molecular weight of 261.27 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 159673428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).