8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

C19H18N4O5S — CID 68567594

IUPAC8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NN4CC5=CCCC5C4)cc3c12
InChIInChI=1S/C19H18N4O5S/c24-18-17-16(14(7-20-17)19(25)26)13-6-12(4-5-15(13)21-18)29(27,28)22-23-8-10-2-1-3-11(10)9-23/h2,4-7,11,20,22H,1,3,8-9H2,(H,21,24)(H,25,26)
InChIKeyJCJJXFPVFSNVFD-UHFFFAOYSA-N
MW414.44 g/mol
LogP1.55
Rot. Bonds4

About 8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (PubChem CID 68567594) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is 8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
PubChem CID68567594
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NN4CC5=CCCC5C4)cc3c12
InChIInChI=1S/C19H18N4O5S/c24-18-17-16(14(7-20-17)19(25)26)13-6-12(4-5-15(13)21-18)29(27,28)22-23-8-10-2-1-3-11(10)9-23/h2,4-7,11,20,22H,1,3,8-9H2,(H,21,24)(H,25,26)
InChIKeyJCJJXFPVFSNVFD-UHFFFAOYSA-N
XLogP1.55
TPSA135.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid with MolForge

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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
8-[(3-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68563358
8-[methyl(oxan-4-yl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68565883
8-[1,3-dioxolan-2-ylmethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68566556
8-[cyclopropyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68564641
4-oxo-8-[prop-2-ynyl-[(1S)-1-pyrrolidin-2-ylethyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 87717304
8-[2-(diethylamino)ethyl-methylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68562980
ethyl 4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15947289
8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68564236
4-[8-[3-(methylamino)pyrrolidin-1-yl]sulfonyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid
CID 68938256
ethyl 8-(4-aminobutylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 15604632

Frequently Asked Questions

What is the IUPAC name of 8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The IUPAC name of 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) is 8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.
What is the SMILES notation for 8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The canonical SMILES for 8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-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)NN4CC5=CCCC5C4)cc3c12.
What is the InChIKey of 8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The InChIKey is JCJJXFPVFSNVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c24-18-17-16(14(7-20-17)19(25)26)13-6-12(4-5-15(13)21-18)29(27,28)22-23-8-10-2-1-3-11(10)9-23/h2,4-7,11,20,22H,1,3,8-9H2,(H,21,24)(H,25,26).
What are the key properties of 8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid has a molecular weight of 414.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-ylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is sourced from PubChem (CID 68567594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).