7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one

C13H17NO4S — CID 114940190

IUPAC7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCCS(=O)(=O)CCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C13H17NO4S/c1-2-19(16,17)8-7-18-11-5-3-10-4-6-13(15)14-12(10)9-11/h3,5,9H,2,4,6-8H2,1H3,(H,14,15)
InChIKeyIMHPHDUXJNGPKL-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.38
Rot. Bonds5

About 7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one

7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114940190) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID114940190
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCCS(=O)(=O)CCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C13H17NO4S/c1-2-19(16,17)8-7-18-11-5-3-10-4-6-13(15)14-12(10)9-11/h3,5,9H,2,4,6-8H2,1H3,(H,14,15)
InChIKeyIMHPHDUXJNGPKL-UHFFFAOYSA-N
XLogP1.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-(2-pyridin-4-ylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940079
7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939923
7-[2-(2-oxo-1-pyridinyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940102
hydrazinyl 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propanoate
CID 114939971
7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
CID 66885925
7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106931226
7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939907

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 114940190) is 7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one is CCS(=O)(=O)CCOc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IMHPHDUXJNGPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-2-19(16,17)8-7-18-11-5-3-10-4-6-13(15)14-12(10)9-11/h3,5,9H,2,4,6-8H2,1H3,(H,14,15).
What are the key properties of 7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one?
7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 283.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114940190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).