4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide

C22H18N4O5S — CID 54715311

IUPAC4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(Cc2ccccn2)c1=O
InChIInChI=1S/C22H18N4O5S/c23-32(30,31)18-11-4-2-9-16(18)25-21(28)19-20(27)15-8-1-3-10-17(15)26(22(19)29)13-14-7-5-6-12-24-14/h1-12,27H,13H2,(H,25,28)(H2,23,30,31)
InChIKeyWGIWVRYVMFSBIL-UHFFFAOYSA-N
MW450.48 g/mol
LogP2.05
Rot. Bonds5

About 4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide

4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide (PubChem CID 54715311) has the molecular formula C22H18N4O5S and a molecular weight of 450.48 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
PubChem CID54715311
Molecular FormulaC22H18N4O5S
Molecular Weight450.48 g/mol
Exact Mass450.10
IUPAC Name4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(Cc2ccccn2)c1=O
InChIInChI=1S/C22H18N4O5S/c23-32(30,31)18-11-4-2-9-16(18)25-21(28)19-20(27)15-8-1-3-10-17(15)26(22(19)29)13-14-7-5-6-12-24-14/h1-12,27H,13H2,(H,25,28)(H2,23,30,31)
InChIKeyWGIWVRYVMFSBIL-UHFFFAOYSA-N
XLogP2.05
TPSA144.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide (CID 54715311) is 4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide is NS(=O)(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(Cc2ccccn2)c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide?
The InChIKey is WGIWVRYVMFSBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5S/c23-32(30,31)18-11-4-2-9-16(18)25-21(28)19-20(27)15-8-1-3-10-17(15)26(22(19)29)13-14-7-5-6-12-24-14/h1-12,27H,13H2,(H,25,28)(H2,23,30,31).
What are the key properties of 4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide?
4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1-(pyridin-2-ylmethyl)-N-(2-sulfamoylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 54715311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).