4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline

C24H30N2O2 — CID 17238886

About 4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline

4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline (PubChem CID 17238886) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline.

Molecular Properties

• Compound Name: 4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline
• PubChem CID: 17238886
• Molecular Formula: C24H30N2O2
• Molecular Weight: 378.52 g/mol
• Exact Mass: 378.23
• IUPAC Name: 4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline
• SMILES: CCN(CC)c1ccc(C2Nc3c(OC)ccc(OC)c3C3C=CCC32)cc1
• InChI: InChI=1S/C24H30N2O2/c1-5-26(6-2)17-12-10-16(11-13-17)23-19-9-7-8-18(19)22-20(27-3)14-15-21(28-4)24(22)25-23/h7-8,10-15,18-19,23,25H,5-6,9H2,1-4H3
• InChIKey: QAVZMCGIMUXYCY-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 33.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.52
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', '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-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline?

The IUPAC name of 4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline (CID 17238886) is 4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline.

What is the SMILES notation for 4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline?

The canonical SMILES for 4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline is CCN(CC)c1ccc(C2Nc3c(OC)ccc(OC)c3C3C=CCC32)cc1.

What is the InChIKey of 4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline?

The InChIKey is QAVZMCGIMUXYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-5-26(6-2)17-12-10-16(11-13-17)23-19-9-7-8-18(19)22-20(27-3)14-15-21(28-4)24(22)25-23/h7-8,10-15,18-19,23,25H,5-6,9H2,1-4H3.

What are the key properties of 4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline?

4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline has a molecular weight of 378.52 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,9-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-diethylaniline is sourced from PubChem (CID 17238886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).