4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid

C17H12N4O6S — CID 5131637

IUPAC4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2c1=O
InChIInChI=1S/C17H12N4O6S/c22-15-10-6-9(2-4-12(10)18-7-11(15)16(23)24)28(26,27)21-8-1-3-13-14(5-8)20-17(25)19-13/h1-7,21H,(H,18,22)(H,23,24)(H2,19,20,25)
InChIKeyAJVDANQLGALIDB-UHFFFAOYSA-N
MW400.37 g/mol
LogP1.20
Rot. Bonds4

About 4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid

4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid (PubChem CID 5131637) has the molecular formula C17H12N4O6S and a molecular weight of 400.37 g/mol. Its IUPAC name is 4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid
PubChem CID5131637
Molecular FormulaC17H12N4O6S
Molecular Weight400.37 g/mol
Exact Mass400.05
IUPAC Name4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2c1=O
InChIInChI=1S/C17H12N4O6S/c22-15-10-6-9(2-4-12(10)18-7-11(15)16(23)24)28(26,27)21-8-1-3-13-14(5-8)20-17(25)19-13/h1-7,21H,(H,18,22)(H,23,24)(H2,19,20,25)
InChIKeyAJVDANQLGALIDB-UHFFFAOYSA-N
XLogP1.20
TPSA164.98 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 51.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 126479306
N-(4-ethylphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
CID 6622035
3-(azepane-1-carbonyl)-N-(4-ethylphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990627
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]phenyl]propanamide
CID 50796979
N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
CID 15990593
6-[(3,5-dimethylphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide
CID 3245541
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110421824
3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 8015629
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990653
6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 3236136
N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 752841
2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110423453

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid (CID 5131637) is 4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2c1=O.
What is the InChIKey of 4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid?
The InChIKey is AJVDANQLGALIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O6S/c22-15-10-6-9(2-4-12(10)18-7-11(15)16(23)24)28(26,27)21-8-1-3-13-14(5-8)20-17(25)19-13/h1-7,21H,(H,18,22)(H,23,24)(H2,19,20,25).
What are the key properties of 4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid?
4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid has a molecular weight of 400.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 5131637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).