2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide

C13H16N2O4S — CID 110618969

IUPAC2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc2cc(C)c(=O)[nH]c2c1
InChIInChI=1S/C13H16N2O4S/c1-9-7-10-3-4-11(8-12(10)14-13(9)16)15-20(17,18)6-5-19-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyMTXJDZPMTWUJHL-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.22
Rot. Bonds5

About 2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide

2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide (PubChem CID 110618969) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide
PubChem CID110618969
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc2cc(C)c(=O)[nH]c2c1
InChIInChI=1S/C13H16N2O4S/c1-9-7-10-3-4-11(8-12(10)14-13(9)16)15-20(17,18)6-5-19-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyMTXJDZPMTWUJHL-UHFFFAOYSA-N
XLogP1.22
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide (CID 110618969) is 2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide is COCCS(=O)(=O)Nc1ccc2cc(C)c(=O)[nH]c2c1.
What is the InChIKey of 2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide?
The InChIKey is MTXJDZPMTWUJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-9-7-10-3-4-11(8-12(10)14-13(9)16)15-20(17,18)6-5-19-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide?
2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide is sourced from PubChem (CID 110618969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).