[4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone

C24H24Cl2N2O — CID 17241446

About [4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone

[4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone (PubChem CID 17241446) has the molecular formula C24H24Cl2N2O and a molecular weight of 427.38 g/mol. Its IUPAC name is [4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone
• PubChem CID: 17241446
• Molecular Formula: C24H24Cl2N2O
• Molecular Weight: 427.38 g/mol
• Exact Mass: 426.13
• IUPAC Name: [4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone
• SMILES: O=C(c1cccc2c1NC(c1ccc(Cl)cc1Cl)C1CC=CC21)N1CCCCC1
• InChI: InChI=1S/C24H24Cl2N2O/c25-15-10-11-19(21(26)14-15)22-17-7-4-6-16(17)18-8-5-9-20(23(18)27-22)24(29)28-12-2-1-3-13-28/h4-6,8-11,14,16-17,22,27H,1-3,7,12-13H2
• InChIKey: JVHAXSCZGWHNPS-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.38
LogP ≤ 5	6.45
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-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone?

The IUPAC name of [4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone (CID 17241446) is [4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone is O=C(c1cccc2c1NC(c1ccc(Cl)cc1Cl)C1CC=CC21)N1CCCCC1.

What is the InChIKey of [4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone?

The InChIKey is JVHAXSCZGWHNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O/c25-15-10-11-19(21(26)14-15)22-17-7-4-6-16(17)18-8-5-9-20(23(18)27-22)24(29)28-12-2-1-3-13-28/h4-6,8-11,14,16-17,22,27H,1-3,7,12-13H2.

What are the key properties of [4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone?

[4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 427.38 g/mol, XLogP of 6.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 17241446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).