4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol)

C114H174N6O18 — CID 158729252

About 4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol)

4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol) (PubChem CID 158729252) has the molecular formula C114H174N6O18 and a molecular weight of 1986.09 g/mol. Its IUPAC name is 4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol).

Molecular Properties

• Compound Name: 4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol)
• PubChem CID: 158729252
• Molecular Formula: C114H174N6O18
• Molecular Weight: 1986.09 g/mol
• Exact Mass: 1984.72
• IUPAC Name: 4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol)
• SMILES: [2H]C([2H])([2H])Oc1cc2c(cc1OC)C([2H])([2H])C([2H])([2H])N1C2([2H])CC(O)C(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C1([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC)C([2H])([2H])C([2H])([2H])N1C2([2H])CC(O)C(CC(C)C)C1([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC)C([2H])([2H])C([2H])([2H])N1C2([2H])CC(O)C(CC(C)C)C1([2H])[2H].[2H]C12CC(O)C(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])([2H])N1C([2H])([2H])C([2H])([2H])c1cc(OC)c(OC)cc12.[2H]C12CC(O)C(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])([2H])N1C([2H])([2H])C([2H])([2H])c1cc(OC)c(OC)cc12.[2H]C12CC(O)C(CC(C)C)C([2H])([2H])N1C([2H])([2H])C([2H])([2H])c1cc(OC)c(OC)cc12
• InChI: InChI=1S/6C19H29NO3/c6*1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h6*8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/i1D3,4D3,5D2,6D2,7D2,11D2,12D,16D;2*1D3,5D2,6D2,7D2,11D2,12D,16D;2*4D3,5D2,6D2,11D2,16D;5D2,6D2,11D2,16D
• InChIKey: IKWVMIDAVYSZFJ-CEURKUISSA-N
• XLogP: 18.18
• TPSA: 251.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1986.09
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol)?

The IUPAC name of 4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol) (CID 158729252) is 4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol).

What is the SMILES notation for 4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol)?

The canonical SMILES for 4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol) is [2H]C([2H])([2H])Oc1cc2c(cc1OC)C([2H])([2H])C([2H])([2H])N1C2([2H])CC(O)C(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C1([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC)C([2H])([2H])C([2H])([2H])N1C2([2H])CC(O)C(CC(C)C)C1([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC)C([2H])([2H])C([2H])([2H])N1C2([2H])CC(O)C(CC(C)C)C1([2H])[2H].[2H]C12CC(O)C(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])([2H])N1C([2H])([2H])C([2H])([2H])c1cc(OC)c(OC)cc12.[2H]C12CC(O)C(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])([2H])N1C([2H])([2H])C([2H])([2H])c1cc(OC)c(OC)cc12.[2H]C12CC(O)C(CC(C)C)C([2H])([2H])N1C([2H])([2H])C([2H])([2H])c1cc(OC)c(OC)cc12.

What is the InChIKey of 4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol)?

The InChIKey is IKWVMIDAVYSZFJ-CEURKUISSA-N. The full InChI is InChI=1S/6C19H29NO3/c6*1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h6*8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/i1D3,4D3,5D2,6D2,7D2,11D2,12D,16D;2*1D3,5D2,6D2,7D2,11D2,12D,16D;2*4D3,5D2,6D2,11D2,16D;5D2,6D2,11D2,16D.

What are the key properties of 4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol)?

4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol) has a molecular weight of 1986.09 g/mol, XLogP of 18.18, 30 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,6,6,7,7,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol) is sourced from PubChem (CID 158729252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).