1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol

C114H174N6O18 — CID 158729285

About 1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol

1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol (PubChem CID 158729285) has the molecular formula C114H174N6O18 and a molecular weight of 2038.41 g/mol. Its IUPAC name is 1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol.

Molecular Properties

• Compound Name: 1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol
• PubChem CID: 158729285
• Molecular Formula: C114H174N6O18
• Molecular Weight: 2038.41 g/mol
• Exact Mass: 2037.05
• IUPAC Name: 1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol
• SMILES: [2H]OC1([2H])C([2H])([2H])C2([2H])c3c([2H])c(OC([2H])([2H])[2H])c(OC)c([2H])c3C([2H])([2H])C([2H])([2H])N2C([2H])([2H])C1([2H])C([2H])([2H])C([2H])(C)C([2H])([2H])[2H].[2H]c1c(OC)c(OC([2H])([2H])[2H])c([2H])c2c1C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C([2H])([2H])C21[2H].[2H]c1c(OC)c(OC([2H])([2H])[2H])c([2H])c2c1C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C([2H])([2H])C21[2H].[2H]c1c(OC)c(OC([2H])([2H])[2H])c([2H])c2c1C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])(CC(C)C)C([2H])(O)C([2H])([2H])C21[2H].[2H]c1c(OC)c(OC)c([2H])c2c1C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C([2H])([2H])C21[2H].[2H]c1c(OC)c(OC)c([2H])c2c1C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C([2H])([2H])C21[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/i1D3,4D3,5D2,6D2,7D2,8D,9D,10D2,11D2,12D,14D,16D,17D,21D;2*1D3,4D3,5D2,6D2,7D2,8D,9D,10D2,11D2,12D,14D,16D,17D;2*1D3,5D2,6D2,7D2,8D,9D,10D2,11D2,12D,14D,16D,17D;4D3,5D2,6D2,8D,9D,10D2,11D2,14D,16D,17D
• InChIKey: IKWVMIDAVYSZFJ-QVLZSEPOSA-N
• XLogP: 18.18
• TPSA: 251.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.41
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol?

The IUPAC name of 1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol (CID 158729285) is 1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol.

What is the SMILES notation for 1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol?

The canonical SMILES for 1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol is [2H]OC1([2H])C([2H])([2H])C2([2H])c3c([2H])c(OC([2H])([2H])[2H])c(OC)c([2H])c3C([2H])([2H])C([2H])([2H])N2C([2H])([2H])C1([2H])C([2H])([2H])C([2H])(C)C([2H])([2H])[2H].[2H]c1c(OC)c(OC([2H])([2H])[2H])c([2H])c2c1C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C([2H])([2H])C21[2H].[2H]c1c(OC)c(OC([2H])([2H])[2H])c([2H])c2c1C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C([2H])([2H])C21[2H].[2H]c1c(OC)c(OC([2H])([2H])[2H])c([2H])c2c1C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])(CC(C)C)C([2H])(O)C([2H])([2H])C21[2H].[2H]c1c(OC)c(OC)c([2H])c2c1C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C([2H])([2H])C21[2H].[2H]c1c(OC)c(OC)c([2H])c2c1C([2H])([2H])C([2H])([2H])N1C([2H])([2H])C([2H])(C([2H])([2H])C([2H])(C)C([2H])([2H])[2H])C([2H])(O)C([2H])([2H])C21[2H].

What is the InChIKey of 1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol?

The InChIKey is IKWVMIDAVYSZFJ-QVLZSEPOSA-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/i1D3,4D3,5D2,6D2,7D2,8D,9D,10D2,11D2,12D,14D,16D,17D,21D;2*1D3,4D3,5D2,6D2,7D2,8D,9D,10D2,11D2,12D,14D,16D,17D;2*1D3,5D2,6D2,7D2,8D,9D,10D2,11D2,12D,14D,16D,17D;4D3,5D2,6D2,8D,9D,10D2,11D2,14D,16D,17D.

What are the key properties of 1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol?

1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol has a molecular weight of 2038.41 g/mol, XLogP of 18.18, 34 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-2-deuteriooxy-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizine;bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxybenzo[a]quinolizin-2-ol);bis(1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11,11b-tridecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)benzo[a]quinolizin-2-ol is sourced from PubChem (CID 158729285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).