4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide

C13H16N2O3S — CID 16824688

IUPAC4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C13H16N2O3S/c1-3-6-14-19(17,18)10-4-5-12-11(8-10)9(2)7-13(16)15-12/h4-5,7-8,14H,3,6H2,1-2H3,(H,15,16)
InChIKeyWHIBNKISBGHATE-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.52
Rot. Bonds4

About 4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide

4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide (PubChem CID 16824688) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide
PubChem CID16824688
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C13H16N2O3S/c1-3-6-14-19(17,18)10-4-5-12-11(8-10)9(2)7-13(16)15-12/h4-5,7-8,14H,3,6H2,1-2H3,(H,15,16)
InChIKeyWHIBNKISBGHATE-UHFFFAOYSA-N
XLogP1.52
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide (CID 16824688) is 4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide is CCCNS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1.
What is the InChIKey of 4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide?
The InChIKey is WHIBNKISBGHATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-6-14-19(17,18)10-4-5-12-11(8-10)9(2)7-13(16)15-12/h4-5,7-8,14H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide?
4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-propyl-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 16824688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).