4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol

C19H29NO3 — CID 54764033

IUPAC4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol
SMILES[2H]c1c(OC([2H])([2H])[2H])c(OC)c([2H])c2c1C1CC(O)C(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])N1C([2H])([2H])C2([2H])[2H]
InChIInChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/i1D3,2D3,4D3,5D2,6D2,7D2,8D,9D,11D2,12D
InChIKeyWEQLWGNDNRARGE-BAPFSBHDSA-N
MW339.57 g/mol
LogP3.03
Rot. Bonds7

About 4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol

4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol (PubChem CID 54764033) has the molecular formula C19H29NO3 and a molecular weight of 339.57 g/mol. Its IUPAC name is 4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol.

Molecular Properties

Compound Name4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol
PubChem CID54764033
Molecular FormulaC19H29NO3
Molecular Weight339.57 g/mol
Exact Mass339.34
IUPAC Name4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol
SMILES[2H]c1c(OC([2H])([2H])[2H])c(OC)c([2H])c2c1C1CC(O)C(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])N1C([2H])([2H])C2([2H])[2H]
InChIInChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/i1D3,2D3,4D3,5D2,6D2,7D2,8D,9D,11D2,12D
InChIKeyWEQLWGNDNRARGE-BAPFSBHDSA-N
XLogP3.03
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,11bS)-4,4,6,6,7,7-hexadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol
CID 122415205
6,6,7,7,8,11-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3,4,11b-tetrahydro-1H-benzo[a]quinolizin-2-ol
CID 54764972
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
CID 118858137
1,1,2,3,4,4,6,6,7,7,8,11-dodecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-11bH-benzo[a]quinolizin-2-ol
CID 118858106
1,1,2,3,4,4,6,6,7,7,8,11-dodecadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-11bH-benzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,6,6,7,7,8,11-dodecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-11bH-benzo[a]quinolizin-2-ol);1,1,2,3,4,4,6,6,7,7,8,11-dodecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-11bH-benzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,6,6,7,7,8,11-dodecadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-11bH-benzo[a]quinolizin-2-ol)
CID 158729304
bis(1,1,2,3,4,4,8,11-octadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-7,11b-dihydro-6H-benzo[a]quinolizin-2-ol);1,1,2,3,4,4,8,11-octadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-7,11b-dihydro-6H-benzo[a]quinolizin-2-ol;4,4,8,11-tetradeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol;4,4,8,11-tetradeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
CID 159640907
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
1,1,2,3,4,4,6,6,7,7,8,11-dodecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-11bH-benzo[a]quinolizin-2-ol;1,1,2,3,4,4,6,6,7,7,8,11-dodecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-11bH-benzo[a]quinolizin-2-ol;1,1,2,3,4,4,8,11-octadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-7,11b-dihydro-6H-benzo[a]quinolizin-2-ol;1,1,2,3,4,4,8,11-octadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-7,11b-dihydro-6H-benzo[a]quinolizin-2-ol;1,1,2,3,4,4,8,11-octadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-7,11b-dihydro-6H-benzo[a]quinolizin-2-ol
CID 159640889
4,4,6,6,7,7,8,11,11b-nonadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9,10-dimethoxy-1,3-dihydrobenzo[a]quinolizin-2-one
CID 45380370
[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-yl] (2S)-2-amino-3-methylbutanoate;[1,1,2,3,4,4,6,6,7,7,8,11-dodecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-11bH-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate;[1,1,2,3,4,4,6,6,7,7,8,11-dodecadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-10-methoxy-9-(trideuteriomethoxy)-11bH-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate
CID 159620412
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
[6,6,7,7,8,11,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate;[6,6,7,7,8,11,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-10-methoxy-9-(trideuteriomethoxy)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate;[2,6,6,7,7,8,11,11b-octadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-3,4-dihydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate
CID 159620384

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol?
The IUPAC name of 4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol (CID 54764033) is 4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol.
What is the SMILES notation for 4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol?
The canonical SMILES for 4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol is [2H]c1c(OC([2H])([2H])[2H])c(OC)c([2H])c2c1C1CC(O)C(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])N1C([2H])([2H])C2([2H])[2H].
What is the InChIKey of 4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol?
The InChIKey is WEQLWGNDNRARGE-BAPFSBHDSA-N. The full InChI is InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/i1D3,2D3,4D3,5D2,6D2,7D2,8D,9D,11D2,12D.
What are the key properties of 4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol?
4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol has a molecular weight of 339.57 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6,7,7,8,11-octadeuterio-3-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-9-methoxy-10-(trideuteriomethoxy)-1,2,3,11b-tetrahydrobenzo[a]quinolizin-2-ol is sourced from PubChem (CID 54764033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).