10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

C23H35NO3 — CID 171103966

About 10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (PubChem CID 171103966) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is 10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.

Molecular Properties

• Compound Name: 10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
• PubChem CID: 171103966
• Molecular Formula: C23H35NO3
• Molecular Weight: 373.54 g/mol
• Exact Mass: 373.26
• IUPAC Name: 10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
• SMILES: COc1cc2c(cc1OC1(C)CCC1)CCN1CC(OC(C)(C)C)CCC21
• InChI: InChI=1S/C23H35NO3/c1-22(2,3)26-17-7-8-19-18-14-20(25-5)21(27-23(4)10-6-11-23)13-16(18)9-12-24(19)15-17/h13-14,17,19H,6-12,15H2,1-5H3
• InChIKey: ZWZFQQJZYACPQF-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.54
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?

The IUPAC name of 10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (CID 171103966) is 10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.

What is the SMILES notation for 10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?

The canonical SMILES for 10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine is COc1cc2c(cc1OC1(C)CCC1)CCN1CC(OC(C)(C)C)CCC21.

What is the InChIKey of 10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?

The InChIKey is ZWZFQQJZYACPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO3/c1-22(2,3)26-17-7-8-19-18-14-20(25-5)21(27-23(4)10-6-11-23)13-16(18)9-12-24(19)15-17/h13-14,17,19H,6-12,15H2,1-5H3.

What are the key properties of 10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?

10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine has a molecular weight of 373.54 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methoxy-9-(1-methylcyclobutyl)oxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine is sourced from PubChem (CID 171103966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).