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

C16H14N4O5S — CID 68564236

IUPAC8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESCN(CCC#N)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1
InChIInChI=1S/C16H14N4O5S/c1-20(6-2-5-17)26(24,25)9-3-4-12-10(7-9)13-11(16(22)23)8-18-14(13)15(21)19-12/h3-4,7-8,18H,2,6H2,1H3,(H,19,21)(H,22,23)
InChIKeyMGEUIAGFKBROOX-UHFFFAOYSA-N
MW374.38 g/mol
LogP1.24
Rot. Bonds5

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

8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (PubChem CID 68564236) has the molecular formula C16H14N4O5S and a molecular weight of 374.38 g/mol. Its IUPAC name is 8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
PubChem CID68564236
Molecular FormulaC16H14N4O5S
Molecular Weight374.38 g/mol
Exact Mass374.07
IUPAC Name8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESCN(CCC#N)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1
InChIInChI=1S/C16H14N4O5S/c1-20(6-2-5-17)26(24,25)9-3-4-12-10(7-9)13-11(16(22)23)8-18-14(13)15(21)19-12/h3-4,7-8,18H,2,6H2,1H3,(H,19,21)(H,22,23)
InChIKeyMGEUIAGFKBROOX-UHFFFAOYSA-N
XLogP1.24
TPSA147.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The IUPAC name of 8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (CID 68564236) is 8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.
What is the SMILES notation for 8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The canonical SMILES for 8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is CN(CCC#N)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1.
What is the InChIKey of 8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The InChIKey is MGEUIAGFKBROOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5S/c1-20(6-2-5-17)26(24,25)9-3-4-12-10(7-9)13-11(16(22)23)8-18-14(13)15(21)19-12/h3-4,7-8,18H,2,6H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid has a molecular weight of 374.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is sourced from PubChem (CID 68564236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).