6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide

C12H14N2O5S — CID 70408239

IUPAC6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide
SMILESCNS(=O)(=O)c1c[nH]c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C12H14N2O5S/c1-13-20(16,17)11-6-14-8-5-10(19-3)9(18-2)4-7(8)12(11)15/h4-6,13H,1-3H3,(H,14,15)
InChIKeyRYHPARGMLNHARG-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.45
Rot. Bonds4

About 6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide

6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide (PubChem CID 70408239) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide.

Molecular Properties

Compound Name6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide
PubChem CID70408239
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide
SMILESCNS(=O)(=O)c1c[nH]c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C12H14N2O5S/c1-13-20(16,17)11-6-14-8-5-10(19-3)9(18-2)4-7(8)12(11)15/h4-6,13H,1-3H3,(H,14,15)
InChIKeyRYHPARGMLNHARG-UHFFFAOYSA-N
XLogP0.45
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide?
The IUPAC name of 6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide (CID 70408239) is 6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide.
What is the SMILES notation for 6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide?
The canonical SMILES for 6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide is CNS(=O)(=O)c1c[nH]c2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of 6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide?
The InChIKey is RYHPARGMLNHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-13-20(16,17)11-6-14-8-5-10(19-3)9(18-2)4-7(8)12(11)15/h4-6,13H,1-3H3,(H,14,15).
What are the key properties of 6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide?
6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide has a molecular weight of 298.32 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide is sourced from PubChem (CID 70408239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).