4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide

C28H27FN4O3 — CID 60548636

About 4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide

4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide (PubChem CID 60548636) has the molecular formula C28H27FN4O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
• PubChem CID: 60548636
• Molecular Formula: C28H27FN4O3
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.21
• IUPAC Name: 4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
• SMILES: O=C(CN1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21)Nc1ccccc1N1CCCC1=O
• InChI: InChI=1S/C28H27FN4O3/c29-20-14-12-19(13-15-20)28(36)31-22-8-3-10-24-21(22)6-4-16-32(24)18-26(34)30-23-7-1-2-9-25(23)33-17-5-11-27(33)35/h1-3,7-10,12-15H,4-6,11,16-18H2,(H,30,34)(H,31,36)
• InChIKey: JLVXIPDRBXOMGN-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.55
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?

The IUPAC name of 4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide (CID 60548636) is 4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide.

What is the SMILES notation for 4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?

The canonical SMILES for 4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide is O=C(CN1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21)Nc1ccccc1N1CCCC1=O.

What is the InChIKey of 4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?

The InChIKey is JLVXIPDRBXOMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O3/c29-20-14-12-19(13-15-20)28(36)31-22-8-3-10-24-21(22)6-4-16-32(24)18-26(34)30-23-7-1-2-9-25(23)33-17-5-11-27(33)35/h1-3,7-10,12-15H,4-6,11,16-18H2,(H,30,34)(H,31,36).

What are the key properties of 4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?

4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide has a molecular weight of 486.55 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide is sourced from PubChem (CID 60548636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).