1,1,2,3,6,6,7,7,11b-nonadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);4,4,6,6,7,7-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol;4,4,6,6,7,7-hexadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol

C137H211N7O21 — CID 160666126

About 1,1,2,3,6,6,7,7,11b-nonadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);4,4,6,6,7,7-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol;4,4,6,6,7,7-hexadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol

1,1,2,3,6,6,7,7,11b-nonadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);4,4,6,6,7,7-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol;4,4,6,6,7,7-hexadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol (PubChem CID 160666126) has the molecular formula C137H211N7O21 and a molecular weight of 2378.75 g/mol. Its IUPAC name is 1,1,2,3,6,6,7,7,11b-nonadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);4,4,6,6,7,7-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol;4,4,6,6,7,7-hexadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol.

Molecular Properties

• Compound Name: 1,1,2,3,6,6,7,7,11b-nonadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);4,4,6,6,7,7-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol;4,4,6,6,7,7-hexadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol
• PubChem CID: 160666126
• Molecular Formula: C137H211N7O21
• Molecular Weight: 2378.75 g/mol
• Exact Mass: 2377.11
• IUPAC Name: 1,1,2,3,6,6,7,7,11b-nonadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);4,4,6,6,7,7-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol;4,4,6,6,7,7-hexadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol
• SMILES: [2H]C([2H])([2H])Oc1cc2c(cc1OC)C([2H])([2H])C([2H])([2H])N1C2CC(O)C(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C1([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC)C([2H])([2H])C([2H])([2H])N1C2CC(O)C(CC(C)C)C1([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC)C([2H])([2H])C([2H])([2H])N1CC([2H])(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])(O)C([2H])([2H])C21[2H].[2H]C1([2H])C(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C(O)CC2c3cc(OC)c(OC)cc3C([2H])([2H])C([2H])([2H])N21.[2H]C1([2H])C(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C(O)CC2c3cc(OC)c(OC)cc3C([2H])([2H])C([2H])([2H])N21.[2H]C1([2H])C(CC(C)C)C(O)CC2c3cc(OC)c(OC)cc3C([2H])([2H])C([2H])([2H])N21.[2H]C1([2H])C(CC(C)C)C(O)CC2c3cc(OC)c(OC)cc3C([2H])([2H])C([2H])([2H])N21
• InChI: InChI=1S/4C20H31NO3.3C19H29NO3/c4*1-20(2,3)11-14-12-21-7-6-13-8-18(23-4)19(24-5)9-15(13)16(21)10-17(14)22;3*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/h4*8-9,14,16-17,22H,6-7,10-12H2,1-5H3;3*8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/i1D3,2D3,5D3,6D2,7D2,10D2,11D2,14D,16D,17D;1D3,2D3,5D3,6D2,7D2,11D2,12D2;2*1D3,2D3,6D2,7D2,11D2,12D2;4D3,5D2,6D2,11D2;2*5D2,6D2,11D2
• InChIKey: RMIAKIWLNNOONO-PIVLKKBUSA-N
• XLogP: 22.77
• TPSA: 293.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.75
LogP ≤ 5	22.77
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of 1,1,2,3,6,6,7,7,11b-nonadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);4,4,6,6,7,7-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol;4,4,6,6,7,7-hexadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol (CID 160666126) is 1,1,2,3,6,6,7,7,11b-nonadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);4,4,6,6,7,7-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol;4,4,6,6,7,7-hexadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol.

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

The canonical SMILES for 1,1,2,3,6,6,7,7,11b-nonadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);4,4,6,6,7,7-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol;4,4,6,6,7,7-hexadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol is [2H]C([2H])([2H])Oc1cc2c(cc1OC)C([2H])([2H])C([2H])([2H])N1C2CC(O)C(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C1([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC)C([2H])([2H])C([2H])([2H])N1C2CC(O)C(CC(C)C)C1([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC)C([2H])([2H])C([2H])([2H])N1CC([2H])(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])(O)C([2H])([2H])C21[2H].[2H]C1([2H])C(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C(O)CC2c3cc(OC)c(OC)cc3C([2H])([2H])C([2H])([2H])N21.[2H]C1([2H])C(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C(O)CC2c3cc(OC)c(OC)cc3C([2H])([2H])C([2H])([2H])N21.[2H]C1([2H])C(CC(C)C)C(O)CC2c3cc(OC)c(OC)cc3C([2H])([2H])C([2H])([2H])N21.[2H]C1([2H])C(CC(C)C)C(O)CC2c3cc(OC)c(OC)cc3C([2H])([2H])C([2H])([2H])N21.

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

The InChIKey is RMIAKIWLNNOONO-PIVLKKBUSA-N. The full InChI is InChI=1S/4C20H31NO3.3C19H29NO3/c4*1-20(2,3)11-14-12-21-7-6-13-8-18(23-4)19(24-5)9-15(13)16(21)10-17(14)22;3*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/h4*8-9,14,16-17,22H,6-7,10-12H2,1-5H3;3*8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/i1D3,2D3,5D3,6D2,7D2,10D2,11D2,14D,16D,17D;1D3,2D3,5D3,6D2,7D2,11D2,12D2;2*1D3,2D3,6D2,7D2,11D2,12D2;4D3,5D2,6D2,11D2;2*5D2,6D2,11D2.

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

1,1,2,3,6,6,7,7,11b-nonadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);4,4,6,6,7,7-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol;4,4,6,6,7,7-hexadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol has a molecular weight of 2378.75 g/mol, XLogP of 22.77, 27 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,3,6,6,7,7,11b-nonadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-ol;bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);bis(4,4,6,6,7,7-hexadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol);4,4,6,6,7,7-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol;4,4,6,6,7,7-hexadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol is sourced from PubChem (CID 160666126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).