1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol

C24H23NO — CID 17243341

About 1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol

1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol (PubChem CID 17243341) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol.

Molecular Properties

• Compound Name: 1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol
• PubChem CID: 17243341
• Molecular Formula: C24H23NO
• Molecular Weight: 341.45 g/mol
• Exact Mass: 341.18
• IUPAC Name: 1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol
• SMILES: Cc1ccc2c(c1C)NC(c1c(O)ccc3ccccc13)C1CC=CC21
• InChI: InChI=1S/C24H23NO/c1-14-10-12-20-18-8-5-9-19(18)24(25-23(20)15(14)2)22-17-7-4-3-6-16(17)11-13-21(22)26/h3-8,10-13,18-19,24-26H,9H2,1-2H3
• InChIKey: ULYROTFEAYMZQW-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 32.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	341.45
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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 1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol?

The IUPAC name of 1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol (CID 17243341) is 1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol.

What is the SMILES notation for 1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol?

The canonical SMILES for 1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol is Cc1ccc2c(c1C)NC(c1c(O)ccc3ccccc13)C1CC=CC21.

What is the InChIKey of 1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol?

The InChIKey is ULYROTFEAYMZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-14-10-12-20-18-8-5-9-19(18)24(25-23(20)15(14)2)22-17-7-4-3-6-16(17)11-13-21(22)26/h3-8,10-13,18-19,24-26H,9H2,1-2H3.

What are the key properties of 1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol?

1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol has a molecular weight of 341.45 g/mol, XLogP of 5.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)naphthalen-2-ol is sourced from PubChem (CID 17243341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).