6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide

C25H30F2N4O3 — CID 155573996

About 6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide

6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 155573996) has the molecular formula C25H30F2N4O3 and a molecular weight of 472.54 g/mol. Its IUPAC name is 6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
• PubChem CID: 155573996
• Molecular Formula: C25H30F2N4O3
• Molecular Weight: 472.54 g/mol
• Exact Mass: 472.23
• IUPAC Name: 6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide
• SMILES: COCCNc1cc(CNC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2N3C)ccc1F
• InChI: InChI=1S/C25H30F2N4O3/c1-30-22-6-4-18(26)14-19(22)23(32)15-25(30)7-10-31(11-8-25)24(33)29-16-17-3-5-20(27)21(13-17)28-9-12-34-2/h3-6,13-14,28H,7-12,15-16H2,1-2H3,(H,29,33)
• InChIKey: JYROTWOUMWUERT-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.54
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide?

The IUPAC name of 6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide (CID 155573996) is 6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide.

What is the SMILES notation for 6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide?

The canonical SMILES for 6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide is COCCNc1cc(CNC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2N3C)ccc1F.

What is the InChIKey of 6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide?

The InChIKey is JYROTWOUMWUERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O3/c1-30-22-6-4-18(26)14-19(22)23(32)15-25(30)7-10-31(11-8-25)24(33)29-16-17-3-5-20(27)21(13-17)28-9-12-34-2/h3-6,13-14,28H,7-12,15-16H2,1-2H3,(H,29,33).

What are the key properties of 6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide?

6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-[[4-fluoro-3-(2-methoxyethylamino)phenyl]methyl]-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 155573996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).