3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid

C15H15N3O5S — CID 68936937

IUPAC3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
SMILESCNS(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1
InChIInChI=1S/C15H15N3O5S/c1-16-24(22,23)9-3-4-11-10(6-9)13-8(2-5-12(19)20)7-17-14(13)15(21)18-11/h3-4,6-7,16-17H,2,5H2,1H3,(H,18,21)(H,19,20)
InChIKeyDFUOUFKGVLFTFG-UHFFFAOYSA-N
MW349.37 g/mol
LogP0.93
Rot. Bonds5

About 3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid

3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid (PubChem CID 68936937) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
PubChem CID68936937
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
SMILESCNS(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1
InChIInChI=1S/C15H15N3O5S/c1-16-24(22,23)9-3-4-11-10(6-9)13-8(2-5-12(19)20)7-17-14(13)15(21)18-11/h3-4,6-7,16-17H,2,5H2,1H3,(H,18,21)(H,19,20)
InChIKeyDFUOUFKGVLFTFG-UHFFFAOYSA-N
XLogP0.93
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68936772
3-[8-(4-methylsulfonylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68934622
3-(4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl)propanoic acid
CID 68940997
3-[8-[benzyl(methyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68935789
3-[4-oxo-8-(thiophen-2-ylsulfonylamino)-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68940707
4-[8-[3-(methylamino)pyrrolidin-1-yl]sulfonyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid
CID 68938256
4-[8-[2-(methylamino)ethyl-prop-2-ynylsulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid;hydrochloride
CID 87628701
3-[8-[2-cyanoethyl(cyclopropyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68936450
3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68939353
3-[8-(4-cyanophenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68934639
4-[8-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]butanoic acid
CID 68934463
3-[8-(1,2-oxazol-5-yl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68939711

Frequently Asked Questions

What is the IUPAC name of 3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid?
The IUPAC name of 3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid (CID 68936937) is 3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid.
What is the SMILES notation for 3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid?
The canonical SMILES for 3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid is CNS(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1.
What is the InChIKey of 3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid?
The InChIKey is DFUOUFKGVLFTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-16-24(22,23)9-3-4-11-10(6-9)13-8(2-5-12(19)20)7-17-14(13)15(21)18-11/h3-4,6-7,16-17H,2,5H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid?
3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid has a molecular weight of 349.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(methylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid is sourced from PubChem (CID 68936937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).