10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol

C23H37NO4 — CID 164623841

About 10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol

10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol (PubChem CID 164623841) has the molecular formula C23H37NO4 and a molecular weight of 391.55 g/mol. Its IUPAC name is 10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol.

Molecular Properties

• Compound Name: 10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
• PubChem CID: 164623841
• Molecular Formula: C23H37NO4
• Molecular Weight: 391.55 g/mol
• Exact Mass: 391.27
• IUPAC Name: 10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
• SMILES: CCOc1cc2c(cc1OCCCOC)CCN1CC(CC(C)C)C(O)CC21
• InChI: InChI=1S/C23H37NO4/c1-5-27-23-13-19-17(12-22(23)28-10-6-9-26-4)7-8-24-15-18(11-16(2)3)21(25)14-20(19)24/h12-13,16,18,20-21,25H,5-11,14-15H2,1-4H3
• InChIKey: GRVUFVZGOKCQTI-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 51.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.55
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol?

The IUPAC name of 10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol (CID 164623841) is 10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol.

What is the SMILES notation for 10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol?

The canonical SMILES for 10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is CCOc1cc2c(cc1OCCCOC)CCN1CC(CC(C)C)C(O)CC21.

What is the InChIKey of 10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol?

The InChIKey is GRVUFVZGOKCQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO4/c1-5-27-23-13-19-17(12-22(23)28-10-6-9-26-4)7-8-24-15-18(11-16(2)3)21(25)14-20(19)24/h12-13,16,18,20-21,25H,5-11,14-15H2,1-4H3.

What are the key properties of 10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol?

10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol has a molecular weight of 391.55 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-ethoxy-9-(3-methoxypropoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is sourced from PubChem (CID 164623841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).