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

C22H33NO2 — CID 156636557

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

9-(cyclopropylmethyl)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol (PubChem CID 156636557) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol.

Molecular Properties

• Compound Name: 9-(cyclopropylmethyl)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
• PubChem CID: 156636557
• Molecular Formula: C22H33NO2
• Molecular Weight: 343.51 g/mol
• Exact Mass: 343.25
• IUPAC Name: 9-(cyclopropylmethyl)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
• SMILES: COc1cc2c(cc1CC1CC1)CCN1CC(CC(C)C)C(O)CC21
• InChI: InChI=1S/C22H33NO2/c1-14(2)8-18-13-23-7-6-16-10-17(9-15-4-5-15)22(25-3)11-19(16)20(23)12-21(18)24/h10-11,14-15,18,20-21,24H,4-9,12-13H2,1-3H3
• InChIKey: FVGJQPMFNSWZHA-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.51
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 9-(cyclopropylmethyl)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol (CID 156636557) is 9-(cyclopropylmethyl)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol.

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

The canonical SMILES for 9-(cyclopropylmethyl)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is COc1cc2c(cc1CC1CC1)CCN1CC(CC(C)C)C(O)CC21.

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

The InChIKey is FVGJQPMFNSWZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-14(2)8-18-13-23-7-6-16-10-17(9-15-4-5-15)22(25-3)11-19(16)20(23)12-21(18)24/h10-11,14-15,18,20-21,24H,4-9,12-13H2,1-3H3.

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

9-(cyclopropylmethyl)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol has a molecular weight of 343.51 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(cyclopropylmethyl)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is sourced from PubChem (CID 156636557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).