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

C22H35NO3 — CID 164623873

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

10-ethoxy-3-(2-methylpropyl)-9-propoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol (PubChem CID 164623873) has the molecular formula C22H35NO3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 10-ethoxy-3-(2-methylpropyl)-9-propoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol.

Molecular Properties

• Compound Name: 10-ethoxy-3-(2-methylpropyl)-9-propoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
• PubChem CID: 164623873
• Molecular Formula: C22H35NO3
• Molecular Weight: 361.53 g/mol
• Exact Mass: 361.26
• IUPAC Name: 10-ethoxy-3-(2-methylpropyl)-9-propoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
• SMILES: CCCOc1cc2c(cc1OCC)C1CC(O)C(CC(C)C)CN1CC2
• InChI: InChI=1S/C22H35NO3/c1-5-9-26-21-11-16-7-8-23-14-17(10-15(3)4)20(24)13-19(23)18(16)12-22(21)25-6-2/h11-12,15,17,19-20,24H,5-10,13-14H2,1-4H3
• InChIKey: VPNXZHPFHYJMFF-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.53
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 10-ethoxy-3-(2-methylpropyl)-9-propoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol (CID 164623873) is 10-ethoxy-3-(2-methylpropyl)-9-propoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol.

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

The canonical SMILES for 10-ethoxy-3-(2-methylpropyl)-9-propoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is CCCOc1cc2c(cc1OCC)C1CC(O)C(CC(C)C)CN1CC2.

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

The InChIKey is VPNXZHPFHYJMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO3/c1-5-9-26-21-11-16-7-8-23-14-17(10-15(3)4)20(24)13-19(23)18(16)12-22(21)25-6-2/h11-12,15,17,19-20,24H,5-10,13-14H2,1-4H3.

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

10-ethoxy-3-(2-methylpropyl)-9-propoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol has a molecular weight of 361.53 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-ethoxy-3-(2-methylpropyl)-9-propoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is sourced from PubChem (CID 164623873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).