4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C27H25FN2O — CID 17243834

About 4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17243834) has the molecular formula C27H25FN2O and a molecular weight of 412.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• PubChem CID: 17243834
• Molecular Formula: C27H25FN2O
• Molecular Weight: 412.51 g/mol
• Exact Mass: 412.20
• IUPAC Name: 4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• SMILES: CC(NC(=O)c1cccc2c1NC(c1ccc(F)cc1)C1CC=CC21)c1ccccc1
• InChI: InChI=1S/C27H25FN2O/c1-17(18-7-3-2-4-8-18)29-27(31)24-12-6-11-23-21-9-5-10-22(21)25(30-26(23)24)19-13-15-20(28)16-14-19/h2-9,11-17,21-22,25,30H,10H2,1H3,(H,29,31)
• InChIKey: FGKOFPHZVQGCBV-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.51
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The IUPAC name of 4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17243834) is 4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

What is the SMILES notation for 4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The canonical SMILES for 4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is CC(NC(=O)c1cccc2c1NC(c1ccc(F)cc1)C1CC=CC21)c1ccccc1.

What is the InChIKey of 4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The InChIKey is FGKOFPHZVQGCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O/c1-17(18-7-3-2-4-8-18)29-27(31)24-12-6-11-23-21-9-5-10-22(21)25(30-26(23)24)19-13-15-20(28)16-14-19/h2-9,11-17,21-22,25,30H,10H2,1H3,(H,29,31).

What are the key properties of 4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 6.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17243834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).