4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

C27H22N2O — CID 17243636

About 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (PubChem CID 17243636) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• PubChem CID: 17243636
• Molecular Formula: C27H22N2O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.17
• IUPAC Name: 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• SMILES: NC(=O)c1ccc2c(c1)C1C=CCC1C(c1c3ccccc3cc3ccccc13)N2
• InChI: InChI=1S/C27H22N2O/c28-27(30)18-12-13-24-23(15-18)21-10-5-11-22(21)26(29-24)25-19-8-3-1-6-16(19)14-17-7-2-4-9-20(17)25/h1-10,12-15,21-22,26,29H,11H2,(H2,28,30)
• InChIKey: PTPSWPQCZVQSNY-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 55.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	5.92
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The IUPAC name of 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (CID 17243636) is 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

What is the SMILES notation for 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The canonical SMILES for 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is NC(=O)c1ccc2c(c1)C1C=CCC1C(c1c3ccccc3cc3ccccc13)N2.

What is the InChIKey of 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The InChIKey is PTPSWPQCZVQSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c28-27(30)18-12-13-24-23(15-18)21-10-5-11-22(21)26(29-24)25-19-8-3-1-6-16(19)14-17-7-2-4-9-20(17)25/h1-10,12-15,21-22,26,29H,11H2,(H2,28,30).

What are the key properties of 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is sourced from PubChem (CID 17243636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).