6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C23H27NO3 — CID 17236915

About 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 17236915) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

• Compound Name: 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• PubChem CID: 17236915
• Molecular Formula: C23H27NO3
• Molecular Weight: 365.47 g/mol
• Exact Mass: 365.20
• IUPAC Name: 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• SMILES: COc1cc(C2Nc3c(ccc(C)c3C)C3C=CCC32)cc(OC)c1OC
• InChI: InChI=1S/C23H27NO3/c1-13-9-10-18-16-7-6-8-17(16)22(24-21(18)14(13)2)15-11-19(25-3)23(27-5)20(12-15)26-4/h6-7,9-12,16-17,22,24H,8H2,1-5H3
• InChIKey: AXVBRQRNNNAFIK-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 39.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	365.47
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The IUPAC name of 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 17236915) is 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

What is the SMILES notation for 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The canonical SMILES for 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is COc1cc(C2Nc3c(ccc(C)c3C)C3C=CCC32)cc(OC)c1OC.

What is the InChIKey of 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The InChIKey is AXVBRQRNNNAFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-13-9-10-18-16-7-6-8-17(16)22(24-21(18)14(13)2)15-11-19(25-3)23(27-5)20(12-15)26-4/h6-7,9-12,16-17,22,24H,8H2,1-5H3.

What are the key properties of 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 365.47 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 17236915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).