N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C28H28FN3O4S — CID 17081675

About N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17081675) has the molecular formula C28H28FN3O4S and a molecular weight of 521.61 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 17081675
• Molecular Formula: C28H28FN3O4S
• Molecular Weight: 521.61 g/mol
• Exact Mass: 521.18
• IUPAC Name: N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C1CC(=O)N(CCc2ccc(F)cc2)C1
• InChI: InChI=1S/C28H28FN3O4S/c29-23-9-7-20(8-10-23)15-17-31-19-22(18-27(31)33)28(34)30-24-11-13-25(14-12-24)37(35,36)32-16-3-5-21-4-1-2-6-26(21)32/h1-2,4,6-14,22H,3,5,15-19H2,(H,30,34)
• InChIKey: RQGXEYSNHISEEL-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.61
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 17081675) is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C1CC(=O)N(CCc2ccc(F)cc2)C1.

What is the InChIKey of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is RQGXEYSNHISEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O4S/c29-23-9-7-20(8-10-23)15-17-31-19-22(18-27(31)33)28(34)30-24-11-13-25(14-12-24)37(35,36)32-16-3-5-21-4-1-2-6-26(21)32/h1-2,4,6-14,22H,3,5,15-19H2,(H,30,34).

What are the key properties of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?

N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 521.61 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17081675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).