1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol

C117H180N6O18 — CID 159501111

About 1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol

1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol (PubChem CID 159501111) has the molecular formula C117H180N6O18 and a molecular weight of 2052.32 g/mol. Its IUPAC name is 1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol.

Molecular Properties

• Compound Name: 1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol
• PubChem CID: 159501111
• Molecular Formula: C117H180N6O18
• Molecular Weight: 2052.32 g/mol
• Exact Mass: 2050.92
• IUPAC Name: 1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol
• SMILES: [2H]c1c(OC([2H])([2H])[2H])c(OC)c([2H])c2c1C1N(CC([2H])(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].[2H]c1c(OC([2H])([2H])[2H])c(OC)c([2H])c2c1C1N(CC([2H])(CC(C)C)C([2H])(O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].[2H]c1c(OC([2H])([2H])[2H])c(OC)c([2H])c2c1C1N(CC([2H])(CC(C)C)C([2H])(O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].[2H]c1c(OC)c(OC)c([2H])c2c1C1N(CC([2H])(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].[2H]c1c(OC)c(OC)c([2H])c2c1C1N(CC([2H])(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].[2H]c1c(OC)c(OC)c([2H])c2c1C1N(CC([2H])(CC(C)C)C([2H])(O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H]
• InChI: InChI=1S/3C20H31NO3.3C19H29NO3/c3*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/h3*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/i1D3,2D3,5D3,6D2,7D2,8D,9D,10D2,11D2,14D,17D;2*1D3,2D3,6D2,7D2,8D,9D,10D2,11D2,14D,17D;2*4D3,5D2,6D2,8D,9D,10D2,14D,17D;5D2,6D2,8D,9D,10D2,14D,17D
• InChIKey: LZKACYHZSGVJTR-GEDRIGQHSA-N
• XLogP: 19.35
• TPSA: 251.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2052.32
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol?

The IUPAC name of 1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol (CID 159501111) is 1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol.

What is the SMILES notation for 1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol?

The canonical SMILES for 1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol is [2H]c1c(OC([2H])([2H])[2H])c(OC)c([2H])c2c1C1N(CC([2H])(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].[2H]c1c(OC([2H])([2H])[2H])c(OC)c([2H])c2c1C1N(CC([2H])(CC(C)C)C([2H])(O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].[2H]c1c(OC([2H])([2H])[2H])c(OC)c([2H])c2c1C1N(CC([2H])(CC(C)C)C([2H])(O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].[2H]c1c(OC)c(OC)c([2H])c2c1C1N(CC([2H])(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].[2H]c1c(OC)c(OC)c([2H])c2c1C1N(CC([2H])(C([2H])([2H])C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])(O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].[2H]c1c(OC)c(OC)c([2H])c2c1C1N(CC([2H])(CC(C)C)C([2H])(O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].

What is the InChIKey of 1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol?

The InChIKey is LZKACYHZSGVJTR-GEDRIGQHSA-N. The full InChI is InChI=1S/3C20H31NO3.3C19H29NO3/c3*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/h3*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/i1D3,2D3,5D3,6D2,7D2,8D,9D,10D2,11D2,14D,17D;2*1D3,2D3,6D2,7D2,8D,9D,10D2,11D2,14D,17D;2*4D3,5D2,6D2,8D,9D,10D2,14D,17D;5D2,6D2,8D,9D,10D2,14D,17D.

What are the key properties of 1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol?

1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol has a molecular weight of 2052.32 g/mol, XLogP of 19.35, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-4,11b-dihydrobenzo[a]quinolizin-2-ol);bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,6,6,7,7,8,11-decadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol is sourced from PubChem (CID 159501111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).