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

C19H21N3O5S — CID 68566527

IUPAC8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NC4CCCCCC4)cc3c12
InChIInChI=1S/C19H21N3O5S/c23-18-17-16(14(10-20-17)19(24)25)13-9-12(7-8-15(13)21-18)28(26,27)22-11-5-3-1-2-4-6-11/h7-11,20,22H,1-6H2,(H,21,23)(H,24,25)
InChIKeyJYGJPNDICANRDW-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.71
Rot. Bonds4

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

8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (PubChem CID 68566527) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
PubChem CID68566527
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NC4CCCCCC4)cc3c12
InChIInChI=1S/C19H21N3O5S/c23-18-17-16(14(10-20-17)19(24)25)13-9-12(7-8-15(13)21-18)28(26,27)22-11-5-3-1-2-4-6-11/h7-11,20,22H,1-6H2,(H,21,23)(H,24,25)
InChIKeyJYGJPNDICANRDW-UHFFFAOYSA-N
XLogP2.71
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[4-oxo-8-[(1-phenylmethoxycarbonylpiperidin-3-yl)sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]acetic acid
CID 68936420
6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
CID 5061749
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68565883
8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68564641
8-[1,3-dioxolan-2-ylmethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68566556
4-oxo-8-[prop-2-ynyl-[(1S)-1-pyrrolidin-2-ylethyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 87717304
N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926
8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68564236
N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909726
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-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The IUPAC name of 8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (CID 68566527) is 8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.
What is the SMILES notation for 8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The canonical SMILES for 8-(cycloheptylsulfamoyl)-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)NC4CCCCCC4)cc3c12.
What is the InChIKey of 8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The InChIKey is JYGJPNDICANRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-18-17-16(14(10-20-17)19(24)25)13-9-12(7-8-15(13)21-18)28(26,27)22-11-5-3-1-2-4-6-11/h7-11,20,22H,1-6H2,(H,21,23)(H,24,25).
What are the key properties of 8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid has a molecular weight of 403.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is sourced from PubChem (CID 68566527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).