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

C22H18N4O5S — CID 67063771

IUPAC1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide
SMILESNS(=O)(=O)c1ncccc1NC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H18N4O5S/c23-32(30,31)21-16(10-6-12-24-21)25-20(28)18-19(27)15-9-4-5-11-17(15)26(22(18)29)13-14-7-2-1-3-8-14/h1-12,27H,13H2,(H,25,28)(H2,23,30,31)
InChIKeyBECODNLVEAHTSM-UHFFFAOYSA-N
MW450.48 g/mol
LogP2.05
Rot. Bonds5

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

1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide (PubChem CID 67063771) has the molecular formula C22H18N4O5S and a molecular weight of 450.48 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide
PubChem CID67063771
Molecular FormulaC22H18N4O5S
Molecular Weight450.48 g/mol
Exact Mass450.10
IUPAC Name1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide
SMILESNS(=O)(=O)c1ncccc1NC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H18N4O5S/c23-32(30,31)21-16(10-6-12-24-21)25-20(28)18-19(27)15-9-4-5-11-17(15)26(22(18)29)13-14-7-2-1-3-8-14/h1-12,27H,13H2,(H,25,28)(H2,23,30,31)
InChIKeyBECODNLVEAHTSM-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 1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide?
The IUPAC name of 1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide (CID 67063771) is 1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide?
The canonical SMILES for 1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide is NS(=O)(=O)c1ncccc1NC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide?
The InChIKey is BECODNLVEAHTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5S/c23-32(30,31)21-16(10-6-12-24-21)25-20(28)18-19(27)15-9-4-5-11-17(15)26(22(18)29)13-14-7-2-1-3-8-14/h1-12,27H,13H2,(H,25,28)(H2,23,30,31).
What are the key properties of 1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide?
1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)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 1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)quinoline-3-carboxamide is sourced from PubChem (CID 67063771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).