[4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone

C24H25ClN2O — CID 17239395

About [4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone

[4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone (PubChem CID 17239395) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone
• PubChem CID: 17239395
• Molecular Formula: C24H25ClN2O
• Molecular Weight: 392.93 g/mol
• Exact Mass: 392.17
• IUPAC Name: [4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone
• SMILES: O=C(c1cccc2c1NC(c1ccc(Cl)cc1)C1CC=CC21)N1CCCCC1
• InChI: InChI=1S/C24H25ClN2O/c25-17-12-10-16(11-13-17)22-19-7-4-6-18(19)20-8-5-9-21(23(20)26-22)24(28)27-14-2-1-3-15-27/h4-6,8-13,18-19,22,26H,1-3,7,14-15H2
• InChIKey: ISNHAPAINLHNHT-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.93
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
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-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone?

The IUPAC name of [4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone (CID 17239395) is [4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone is O=C(c1cccc2c1NC(c1ccc(Cl)cc1)C1CC=CC21)N1CCCCC1.

What is the InChIKey of [4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone?

The InChIKey is ISNHAPAINLHNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O/c25-17-12-10-16(11-13-17)22-19-7-4-6-18(19)20-8-5-9-21(23(20)26-22)24(28)27-14-2-1-3-15-27/h4-6,8-13,18-19,22,26H,1-3,7,14-15H2.

What are the key properties of [4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone?

[4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 392.93 g/mol, XLogP of 5.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 17239395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).