N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

C26H31N3O5S — CID 655682

About N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 655682) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
• PubChem CID: 655682
• Molecular Formula: C26H31N3O5S
• Molecular Weight: 497.62 g/mol
• Exact Mass: 497.20
• IUPAC Name: N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1
• InChI: InChI=1S/C26H31N3O5S/c1-18-7-8-19(2)25-23(18)16-20(26(31)27-25)17-29(15-5-14-28-13-4-6-24(28)30)35(32,33)22-11-9-21(34-3)10-12-22/h7-12,16H,4-6,13-15,17H2,1-3H3,(H,27,31)
• InChIKey: DTZMXLJFFPUVDH-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 99.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.62
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?

The IUPAC name of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 655682) is N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

What is the SMILES notation for N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?

The canonical SMILES for N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1.

What is the InChIKey of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?

The InChIKey is DTZMXLJFFPUVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-18-7-8-19(2)25-23(18)16-20(26(31)27-25)17-29(15-5-14-28-13-4-6-24(28)30)35(32,33)22-11-9-21(34-3)10-12-22/h7-12,16H,4-6,13-15,17H2,1-3H3,(H,27,31).

What are the key properties of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?

N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 497.62 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 655682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).