4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C25H20Cl2N2O — CID 17241256

About 4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17241256) has the molecular formula C25H20Cl2N2O and a molecular weight of 435.35 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• PubChem CID: 17241256
• Molecular Formula: C25H20Cl2N2O
• Molecular Weight: 435.35 g/mol
• Exact Mass: 434.10
• IUPAC Name: 4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• SMILES: O=C(Nc1ccccc1)c1cccc2c1NC(c1cccc(Cl)c1Cl)C1CC=CC21
• InChI: InChI=1S/C25H20Cl2N2O/c26-21-14-6-12-19(22(21)27)23-17-10-4-9-16(17)18-11-5-13-20(24(18)29-23)25(30)28-15-7-2-1-3-8-15/h1-9,11-14,16-17,23,29H,10H2,(H,28,30)
• InChIKey: ROMCUPBDOZVDSM-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.35
LogP ≤ 5	7.07
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-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The IUPAC name of 4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17241256) is 4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

What is the SMILES notation for 4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The canonical SMILES for 4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is O=C(Nc1ccccc1)c1cccc2c1NC(c1cccc(Cl)c1Cl)C1CC=CC21.

What is the InChIKey of 4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The InChIKey is ROMCUPBDOZVDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O/c26-21-14-6-12-19(22(21)27)23-17-10-4-9-16(17)18-11-5-13-20(24(18)29-23)25(30)28-15-7-2-1-3-8-15/h1-9,11-14,16-17,23,29H,10H2,(H,28,30).

What are the key properties of 4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 435.35 g/mol, XLogP of 7.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dichlorophenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17241256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).