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

C21H32FNO3 — CID 171103973

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

9-(2-fluoropropoxy)-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (PubChem CID 171103973) has the molecular formula C21H32FNO3 and a molecular weight of 365.49 g/mol. Its IUPAC name is 9-(2-fluoropropoxy)-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.

Molecular Properties

• Compound Name: 9-(2-fluoropropoxy)-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
• PubChem CID: 171103973
• Molecular Formula: C21H32FNO3
• Molecular Weight: 365.49 g/mol
• Exact Mass: 365.24
• IUPAC Name: 9-(2-fluoropropoxy)-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
• SMILES: COc1cc2c(cc1OCC(C)F)CCN1CC(OC(C)(C)C)CCC21
• InChI: InChI=1S/C21H32FNO3/c1-14(22)13-25-20-10-15-8-9-23-12-16(26-21(2,3)4)6-7-18(23)17(15)11-19(20)24-5/h10-11,14,16,18H,6-9,12-13H2,1-5H3
• InChIKey: XNMWIJANUIHZHO-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.49
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-(2-fluoropropoxy)-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (CID 171103973) is 9-(2-fluoropropoxy)-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.

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

The canonical SMILES for 9-(2-fluoropropoxy)-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine is COc1cc2c(cc1OCC(C)F)CCN1CC(OC(C)(C)C)CCC21.

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

The InChIKey is XNMWIJANUIHZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO3/c1-14(22)13-25-20-10-15-8-9-23-12-16(26-21(2,3)4)6-7-18(23)17(15)11-19(20)24-5/h10-11,14,16,18H,6-9,12-13H2,1-5H3.

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

9-(2-fluoropropoxy)-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine has a molecular weight of 365.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-fluoropropoxy)-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine is sourced from PubChem (CID 171103973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).