7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C24H28FN3O2 — CID 46470691

About 7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 46470691) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 46470691
• Molecular Formula: C24H28FN3O2
• Molecular Weight: 409.51 g/mol
• Exact Mass: 409.22
• IUPAC Name: 7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: CC1CCCCN1Cc1ccccc1CNC(=O)C1CC(=O)Nc2cc(F)ccc21
• InChI: InChI=1S/C24H28FN3O2/c1-16-6-4-5-11-28(16)15-18-8-3-2-7-17(18)14-26-24(30)21-13-23(29)27-22-12-19(25)9-10-20(21)22/h2-3,7-10,12,16,21H,4-6,11,13-15H2,1H3,(H,26,30)(H,27,29)
• InChIKey: ZFXOTISMPSDVHX-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.51
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The IUPAC name of 7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 46470691) is 7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

What is the SMILES notation for 7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The canonical SMILES for 7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC1CCCCN1Cc1ccccc1CNC(=O)C1CC(=O)Nc2cc(F)ccc21.

What is the InChIKey of 7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The InChIKey is ZFXOTISMPSDVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-16-6-4-5-11-28(16)15-18-8-3-2-7-17(18)14-26-24(30)21-13-23(29)27-22-12-19(25)9-10-20(21)22/h2-3,7-10,12,16,21H,4-6,11,13-15H2,1H3,(H,26,30)(H,27,29).

What are the key properties of 7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 46470691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).