6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C23H27N — CID 17239027

About 6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 17239027) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is 6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

• Compound Name: 6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• PubChem CID: 17239027
• Molecular Formula: C23H27N
• Molecular Weight: 317.48 g/mol
• Exact Mass: 317.21
• IUPAC Name: 6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• SMILES: Cc1cc(C)c2c(c1)C1C=CCC1C(c1ccc(C(C)C)cc1)N2
• InChI: InChI=1S/C23H27N/c1-14(2)17-8-10-18(11-9-17)23-20-7-5-6-19(20)21-13-15(3)12-16(4)22(21)24-23/h5-6,8-14,19-20,23-24H,7H2,1-4H3
• InChIKey: RYXPLNINXFDFGZ-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	317.48
LogP ≤ 5	6.25
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 6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The IUPAC name of 6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 17239027) is 6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

What is the SMILES notation for 6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The canonical SMILES for 6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is Cc1cc(C)c2c(c1)C1C=CCC1C(c1ccc(C(C)C)cc1)N2.

What is the InChIKey of 6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The InChIKey is RYXPLNINXFDFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-14(2)17-8-10-18(11-9-17)23-20-7-5-6-19(20)21-13-15(3)12-16(4)22(21)24-23/h5-6,8-14,19-20,23-24H,7H2,1-4H3.

What are the key properties of 6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 317.48 g/mol, XLogP of 6.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dimethyl-4-(4-propan-2-ylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 17239027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).