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

C24H29N — CID 17239129

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

6-propan-2-yl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 17239129) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is 6-propan-2-yl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

• Compound Name: 6-propan-2-yl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• PubChem CID: 17239129
• Molecular Formula: C24H29N
• Molecular Weight: 331.50 g/mol
• Exact Mass: 331.23
• IUPAC Name: 6-propan-2-yl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• SMILES: CC(C)c1ccc(C2Nc3c(C(C)C)cccc3C3C=CCC32)cc1
• InChI: InChI=1S/C24H29N/c1-15(2)17-11-13-18(14-12-17)23-21-9-6-8-20(21)22-10-5-7-19(16(3)4)24(22)25-23/h5-8,10-16,20-21,23,25H,9H2,1-4H3
• InChIKey: RWOXYUILQVXKOI-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	331.50
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
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 6-propan-2-yl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The IUPAC name of 6-propan-2-yl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 17239129) is 6-propan-2-yl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

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

The canonical SMILES for 6-propan-2-yl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is CC(C)c1ccc(C2Nc3c(C(C)C)cccc3C3C=CCC32)cc1.

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

The InChIKey is RWOXYUILQVXKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-15(2)17-11-13-18(14-12-17)23-21-9-6-8-20(21)22-10-5-7-19(16(3)4)24(22)25-23/h5-8,10-16,20-21,23,25H,9H2,1-4H3.

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

6-propan-2-yl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 331.50 g/mol, XLogP of 6.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-propan-2-yl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 17239129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).