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

C18H19N3O5S — CID 68940997

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

3-(4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl)propanoic acid (PubChem CID 68940997) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-(4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl)propanoic acid.

Molecular Properties

• Compound Name: 3-(4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl)propanoic acid
• PubChem CID: 68940997
• Molecular Formula: C18H19N3O5S
• Molecular Weight: 389.43 g/mol
• Exact Mass: 389.10
• IUPAC Name: 3-(4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl)propanoic acid
• SMILES: O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4)cc3c12
• InChI: InChI=1S/C18H19N3O5S/c22-15(23)6-3-11-10-19-17-16(11)13-9-12(4-5-14(13)20-18(17)24)27(25,26)21-7-1-2-8-21/h4-5,9-10,19H,1-3,6-8H2,(H,20,24)(H,22,23)
• InChIKey: BDBLHSFGEVKAFP-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 123.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.43
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl)propanoic acid (CID 68940997) is 3-(4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl)propanoic acid.

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

The canonical SMILES for 3-(4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl)propanoic acid is O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4)cc3c12.

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

The InChIKey is BDBLHSFGEVKAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c22-15(23)6-3-11-10-19-17-16(11)13-9-12(4-5-14(13)20-18(17)24)27(25,26)21-7-1-2-8-21/h4-5,9-10,19H,1-3,6-8H2,(H,20,24)(H,22,23).

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

3-(4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl)propanoic acid has a molecular weight of 389.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-oxo-8-pyrrolidin-1-ylsulfonyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl)propanoic acid is sourced from PubChem (CID 68940997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).