N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide

C37H36FN5O — CID 22636310

About N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide

N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide (PubChem CID 22636310) has the molecular formula C37H36FN5O and a molecular weight of 585.73 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide
• PubChem CID: 22636310
• Molecular Formula: C37H36FN5O
• Molecular Weight: 585.73 g/mol
• Exact Mass: 585.29
• IUPAC Name: N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1)C1(CCCCN2CCN(c3cnc4ccccc4n3)CC2)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C37H36FN5O/c38-28-17-15-27(16-18-28)25-40-36(44)37(31-11-3-1-9-29(31)30-10-2-4-12-32(30)37)19-7-8-20-42-21-23-43(24-22-42)35-26-39-33-13-5-6-14-34(33)41-35/h1-6,9-18,26H,7-8,19-25H2,(H,40,44)
• InChIKey: IASPAGRPKBDMQW-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.73
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
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 N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide (CID 22636310) is N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide is O=C(NCc1ccc(F)cc1)C1(CCCCN2CCN(c3cnc4ccccc4n3)CC2)c2ccccc2-c2ccccc21.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide?

The InChIKey is IASPAGRPKBDMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36FN5O/c38-28-17-15-27(16-18-28)25-40-36(44)37(31-11-3-1-9-29(31)30-10-2-4-12-32(30)37)19-7-8-20-42-21-23-43(24-22-42)35-26-39-33-13-5-6-14-34(33)41-35/h1-6,9-18,26H,7-8,19-25H2,(H,40,44).

What are the key properties of N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide?

N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide has a molecular weight of 585.73 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide is sourced from PubChem (CID 22636310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).