N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide

C22H18N4O5S — CID 67373389

IUPACN-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide
SMILESNS(=O)(=O)c1ncccc1N(Cc1ccccc1)C(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C22H18N4O5S/c23-32(30,31)21-17(11-6-12-24-21)26(13-14-7-2-1-3-8-14)22(29)18-19(27)15-9-4-5-10-16(15)25-20(18)28/h1-12H,13H2,(H2,23,30,31)(H2,25,27,28)
InChIKeyPGMLDRPWNHAUPE-UHFFFAOYSA-N
MW450.48 g/mol
LogP2.12
Rot. Bonds5

About N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide

N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide (PubChem CID 67373389) has the molecular formula C22H18N4O5S and a molecular weight of 450.48 g/mol. Its IUPAC name is N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide
PubChem CID67373389
Molecular FormulaC22H18N4O5S
Molecular Weight450.48 g/mol
Exact Mass450.10
IUPAC NameN-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide
SMILESNS(=O)(=O)c1ncccc1N(Cc1ccccc1)C(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C22H18N4O5S/c23-32(30,31)21-17(11-6-12-24-21)26(13-14-7-2-1-3-8-14)22(29)18-19(27)15-9-4-5-10-16(15)25-20(18)28/h1-12H,13H2,(H2,23,30,31)(H2,25,27,28)
InChIKeyPGMLDRPWNHAUPE-UHFFFAOYSA-N
XLogP2.12
TPSA146.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide?
The IUPAC name of N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide (CID 67373389) is N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide is NS(=O)(=O)c1ncccc1N(Cc1ccccc1)C(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide?
The InChIKey is PGMLDRPWNHAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5S/c23-32(30,31)21-17(11-6-12-24-21)26(13-14-7-2-1-3-8-14)22(29)18-19(27)15-9-4-5-10-16(15)25-20(18)28/h1-12H,13H2,(H2,23,30,31)(H2,25,27,28).
What are the key properties of N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide?
N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 67373389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).