4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C23H24N2 — CID 17242594

About 4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 17242594) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

• Compound Name: 4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• PubChem CID: 17242594
• Molecular Formula: C23H24N2
• Molecular Weight: 328.46 g/mol
• Exact Mass: 328.19
• IUPAC Name: 4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• SMILES: CC(C)c1cccc2c1NC(c1c[nH]c3ccccc13)C1CC=CC21
• InChI: InChI=1S/C23H24N2/c1-14(2)15-8-5-10-18-16-9-6-11-19(16)23(25-22(15)18)20-13-24-21-12-4-3-7-17(20)21/h3-10,12-14,16,19,23-25H,11H2,1-2H3
• InChIKey: PHMLTWJWFZLXHV-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 27.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	328.46
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

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-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The IUPAC name of 4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 17242594) is 4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

What is the SMILES notation for 4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The canonical SMILES for 4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is CC(C)c1cccc2c1NC(c1c[nH]c3ccccc13)C1CC=CC21.

What is the InChIKey of 4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The InChIKey is PHMLTWJWFZLXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-14(2)15-8-5-10-18-16-9-6-11-19(16)23(25-22(15)18)20-13-24-21-12-4-3-7-17(20)21/h3-10,12-14,16,19,23-25H,11H2,1-2H3.

What are the key properties of 4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 328.46 g/mol, XLogP of 6.12, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-indol-3-yl)-6-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 17242594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).