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

C20H16ClN3O5S — CID 68936772

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

3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid (PubChem CID 68936772) has the molecular formula C20H16ClN3O5S and a molecular weight of 445.88 g/mol. Its IUPAC name is 3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
• PubChem CID: 68936772
• Molecular Formula: C20H16ClN3O5S
• Molecular Weight: 445.88 g/mol
• Exact Mass: 445.05
• IUPAC Name: 3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
• SMILES: O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3c12
• InChI: InChI=1S/C20H16ClN3O5S/c21-12-2-4-13(5-3-12)24-30(28,29)14-6-7-16-15(9-14)18-11(1-8-17(25)26)10-22-19(18)20(27)23-16/h2-7,9-10,22,24H,1,8H2,(H,23,27)(H,25,26)
• InChIKey: WNVFXFAVIHOLEM-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 132.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.88
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid?

The IUPAC name of 3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid (CID 68936772) is 3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid.

What is the SMILES notation for 3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid?

The canonical SMILES for 3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid is O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3c12.

What is the InChIKey of 3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid?

The InChIKey is WNVFXFAVIHOLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O5S/c21-12-2-4-13(5-3-12)24-30(28,29)14-6-7-16-15(9-14)18-11(1-8-17(25)26)10-22-19(18)20(27)23-16/h2-7,9-10,22,24H,1,8H2,(H,23,27)(H,25,26).

What are the key properties of 3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid?

3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid has a molecular weight of 445.88 g/mol, XLogP of 3.48, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-[(4-chlorophenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid is sourced from PubChem (CID 68936772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).