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

C23H35NO3 — CID 164629212

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

9-(cyclopropylmethoxy)-10-ethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol (PubChem CID 164629212) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is 9-(cyclopropylmethoxy)-10-ethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol.

Molecular Properties

• Compound Name: 9-(cyclopropylmethoxy)-10-ethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
• PubChem CID: 164629212
• Molecular Formula: C23H35NO3
• Molecular Weight: 373.54 g/mol
• Exact Mass: 373.26
• IUPAC Name: 9-(cyclopropylmethoxy)-10-ethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
• SMILES: CCOc1cc2c(cc1OCC1CC1)CCN1CC(CC(C)C)C(O)CC21
• InChI: InChI=1S/C23H35NO3/c1-4-26-23-11-19-17(10-22(23)27-14-16-5-6-16)7-8-24-13-18(9-15(2)3)21(25)12-20(19)24/h10-11,15-16,18,20-21,25H,4-9,12-14H2,1-3H3
• InChIKey: XOZBGKMZJHQSNS-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.54
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-(cyclopropylmethoxy)-10-ethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol (CID 164629212) is 9-(cyclopropylmethoxy)-10-ethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol.

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

The canonical SMILES for 9-(cyclopropylmethoxy)-10-ethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is CCOc1cc2c(cc1OCC1CC1)CCN1CC(CC(C)C)C(O)CC21.

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

The InChIKey is XOZBGKMZJHQSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO3/c1-4-26-23-11-19-17(10-22(23)27-14-16-5-6-16)7-8-24-13-18(9-15(2)3)21(25)12-20(19)24/h10-11,15-16,18,20-21,25H,4-9,12-14H2,1-3H3.

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

9-(cyclopropylmethoxy)-10-ethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol has a molecular weight of 373.54 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 9-(cyclopropylmethoxy)-10-ethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is sourced from PubChem (CID 164629212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).