2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide

C19H19N3O5S — CID 25042355

IUPAC2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide
SMILESCCCn1c(=O)c(NC(=O)c2ccccc2O)c(S(N)(=O)=O)c2ccccc21
InChIInChI=1S/C19H19N3O5S/c1-2-11-22-14-9-5-3-7-12(14)17(28(20,26)27)16(19(22)25)21-18(24)13-8-4-6-10-15(13)23/h3-10,23H,2,11H2,1H3,(H,21,24)(H2,20,26,27)
InChIKeyVXIUXTZURQFZQS-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.02
Rot. Bonds5

About 2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide

2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide (PubChem CID 25042355) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide
PubChem CID25042355
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide
SMILESCCCn1c(=O)c(NC(=O)c2ccccc2O)c(S(N)(=O)=O)c2ccccc21
InChIInChI=1S/C19H19N3O5S/c1-2-11-22-14-9-5-3-7-12(14)17(28(20,26)27)16(19(22)25)21-18(24)13-8-4-6-10-15(13)23/h3-10,23H,2,11H2,1H3,(H,21,24)(H2,20,26,27)
InChIKeyVXIUXTZURQFZQS-UHFFFAOYSA-N
XLogP2.02
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide (CID 25042355) is 2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide is CCCn1c(=O)c(NC(=O)c2ccccc2O)c(S(N)(=O)=O)c2ccccc21.
What is the InChIKey of 2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide?
The InChIKey is VXIUXTZURQFZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-2-11-22-14-9-5-3-7-12(14)17(28(20,26)27)16(19(22)25)21-18(24)13-8-4-6-10-15(13)23/h3-10,23H,2,11H2,1H3,(H,21,24)(H2,20,26,27).
What are the key properties of 2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide?
2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide has a molecular weight of 401.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-oxo-1-propyl-4-sulfamoylquinolin-3-yl)benzamide is sourced from PubChem (CID 25042355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).