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

C21H32ClNO3 — CID 177340104

About 8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (PubChem CID 177340104) has the molecular formula C21H32ClNO3 and a molecular weight of 381.94 g/mol. Its IUPAC name is 8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.

Molecular Properties

• Compound Name: 8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
• PubChem CID: 177340104
• Molecular Formula: C21H32ClNO3
• Molecular Weight: 381.94 g/mol
• Exact Mass: 381.21
• IUPAC Name: 8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
• SMILES: COc1cc2c(c(Cl)c1OC(C)C)CCN1CC(OC(C)(C)C)CCC21
• InChI: InChI=1S/C21H32ClNO3/c1-13(2)25-20-18(24-6)11-16-15(19(20)22)9-10-23-12-14(7-8-17(16)23)26-21(3,4)5/h11,13-14,17H,7-10,12H2,1-6H3
• InChIKey: VTQPDIIXIRIERZ-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.94
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?

The IUPAC name of 8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine (CID 177340104) is 8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.

What is the SMILES notation for 8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?

The canonical SMILES for 8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine is COc1cc2c(c(Cl)c1OC(C)C)CCN1CC(OC(C)(C)C)CCC21.

What is the InChIKey of 8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?

The InChIKey is VTQPDIIXIRIERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClNO3/c1-13(2)25-20-18(24-6)11-16-15(19(20)22)9-10-23-12-14(7-8-17(16)23)26-21(3,4)5/h11,13-14,17H,7-10,12H2,1-6H3.

What are the key properties of 8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine?

8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine has a molecular weight of 381.94 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-10-methoxy-3-[(2-methylpropan-2-yl)oxy]-9-propan-2-yloxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine is sourced from PubChem (CID 177340104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).