6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol

C114H174N6O18 — CID 158729299

About 6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol

6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol (PubChem CID 158729299) has the molecular formula C114H174N6O18 and a molecular weight of 2002.19 g/mol. Its IUPAC name is 6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol.

Molecular Properties

• Compound Name: 6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol
• PubChem CID: 158729299
• Molecular Formula: C114H174N6O18
• Molecular Weight: 2002.19 g/mol
• Exact Mass: 2000.82
• IUPAC Name: 6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol
• SMILES: [2H]c1c(OC)c(OC)c([2H])c2c1C1([2H])CC(O)C(CC(C)C)CN1C([2H])([2H])C2([2H])[2H].[2H]c1c2c(c([2H])c(OC([2H])([2H])[2H])c1OC)C1([2H])N(CC2)C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H].[2H]c1c2c(c([2H])c(OC([2H])([2H])[2H])c1OC)C1([2H])N(CC2)C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H].[2H]c1c2c(c([2H])c(OC([2H])([2H])[2H])c1OC)C1([2H])N(CC2)C([2H])([2H])C([2H])(CC(C)C)C([2H])(O)C1([2H])[2H].[2H]c1c2c(c([2H])c(OC)c1OC)C1([2H])N(CC2)C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H].[2H]c1c2c(c([2H])c(OC)c1OC)C1([2H])N(CC2)C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H]
• 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/i2*1D3,4D3,7D2,8D,9D,10D2,11D2,12D,14D,16D,17D;2*1D3,7D2,8D,9D,10D2,11D2,12D,14D,16D,17D;4D3,8D,9D,10D2,11D2,14D,16D,17D;5D2,6D2,8D,9D,16D
• InChIKey: IKWVMIDAVYSZFJ-VKNRDXHASA-N
• XLogP: 18.18
• TPSA: 251.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2002.19
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol?

The IUPAC name of 6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol (CID 158729299) is 6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol.

What is the SMILES notation for 6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol?

The canonical SMILES for 6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol is [2H]c1c(OC)c(OC)c([2H])c2c1C1([2H])CC(O)C(CC(C)C)CN1C([2H])([2H])C2([2H])[2H].[2H]c1c2c(c([2H])c(OC([2H])([2H])[2H])c1OC)C1([2H])N(CC2)C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H].[2H]c1c2c(c([2H])c(OC([2H])([2H])[2H])c1OC)C1([2H])N(CC2)C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H].[2H]c1c2c(c([2H])c(OC([2H])([2H])[2H])c1OC)C1([2H])N(CC2)C([2H])([2H])C([2H])(CC(C)C)C([2H])(O)C1([2H])[2H].[2H]c1c2c(c([2H])c(OC)c1OC)C1([2H])N(CC2)C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H].[2H]c1c2c(c([2H])c(OC)c1OC)C1([2H])N(CC2)C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H].

What is the InChIKey of 6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol?

The InChIKey is IKWVMIDAVYSZFJ-VKNRDXHASA-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/i2*1D3,4D3,7D2,8D,9D,10D2,11D2,12D,14D,16D,17D;2*1D3,7D2,8D,9D,10D2,11D2,12D,14D,16D,17D;4D3,8D,9D,10D2,11D2,14D,16D,17D;5D2,6D2,8D,9D,16D.

What are the key properties of 6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol?

6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol has a molecular weight of 2002.19 g/mol, XLogP of 18.18, 31 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6,7,7,8,11,11b-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,8,11,11b-nonadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol is sourced from PubChem (CID 158729299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).