8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

C18H12ClN3O5S — CID 68563358

IUPAC8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3c12
InChIInChI=1S/C18H12ClN3O5S/c19-9-2-1-3-10(6-9)22-28(26,27)11-4-5-14-12(7-11)15-13(18(24)25)8-20-16(15)17(23)21-14/h1-8,20,22H,(H,21,23)(H,24,25)
InChIKeyDEKQMUDYBJKPPS-UHFFFAOYSA-N
MW417.83 g/mol
LogP3.16
Rot. Bonds4

About 8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (PubChem CID 68563358) has the molecular formula C18H12ClN3O5S and a molecular weight of 417.83 g/mol. Its IUPAC name is 8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
PubChem CID68563358
Molecular FormulaC18H12ClN3O5S
Molecular Weight417.83 g/mol
Exact Mass417.02
IUPAC Name8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3c12
InChIInChI=1S/C18H12ClN3O5S/c19-9-2-1-3-10(6-9)22-28(26,27)11-4-5-14-12(7-11)15-13(18(24)25)8-20-16(15)17(23)21-14/h1-8,20,22H,(H,21,23)(H,24,25)
InChIKeyDEKQMUDYBJKPPS-UHFFFAOYSA-N
XLogP3.16
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.83
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-oxo-8-sulfo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 87498912
8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68566527
ethyl 8-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15604631
3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68936772
8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68567594
ethyl 8-(naphthalen-2-ylsulfonylamino)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15605161
N-(4-chlorophenyl)-1-(4-methyl-1,3-dioxetan-2-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 71031839
6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid
CID 2396440
8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68565883
8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68564236
4-oxo-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-1H-quinoline-3-carboxylic acid
CID 5131637
3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68936937

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The IUPAC name of 8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (CID 68563358) is 8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.
What is the SMILES notation for 8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The canonical SMILES for 8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3c12.
What is the InChIKey of 8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The InChIKey is DEKQMUDYBJKPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O5S/c19-9-2-1-3-10(6-9)22-28(26,27)11-4-5-14-12(7-11)15-13(18(24)25)8-20-16(15)17(23)21-14/h1-8,20,22H,(H,21,23)(H,24,25).
What are the key properties of 8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid has a molecular weight of 417.83 g/mol, XLogP of 3.16, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is sourced from PubChem (CID 68563358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).