4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C24H27NO2 — CID 17238127

About 4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 17238127) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

• Compound Name: 4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• PubChem CID: 17238127
• Molecular Formula: C24H27NO2
• Molecular Weight: 361.49 g/mol
• Exact Mass: 361.20
• IUPAC Name: 4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• SMILES: Cc1ccc(C2Nc3ccc(OCC4CCCO4)cc3C3C=CCC32)cc1
• InChI: InChI=1S/C24H27NO2/c1-16-7-9-17(10-8-16)24-21-6-2-5-20(21)22-14-18(11-12-23(22)25-24)27-15-19-4-3-13-26-19/h2,5,7-12,14,19-21,24-25H,3-4,6,13,15H2,1H3
• InChIKey: YLTATVFANWNDJQ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	361.49
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', '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 4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The IUPAC name of 4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 17238127) is 4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

What is the SMILES notation for 4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The canonical SMILES for 4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is Cc1ccc(C2Nc3ccc(OCC4CCCO4)cc3C3C=CCC32)cc1.

What is the InChIKey of 4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The InChIKey is YLTATVFANWNDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-16-7-9-17(10-8-16)24-21-6-2-5-20(21)22-14-18(11-12-23(22)25-24)27-15-19-4-3-13-26-19/h2,5,7-12,14,19-21,24-25H,3-4,6,13,15H2,1H3.

What are the key properties of 4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 361.49 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methylphenyl)-8-(oxolan-2-ylmethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 17238127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).