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

C19H29NO3 — CID 54764972

IUPAC6,6,7,7,8,11-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3,4,11b-tetrahydro-1H-benzo[a]quinolizin-2-ol
SMILES[2H]c1c(OC([2H])([2H])[2H])c(OC)c([2H])c2c1C1CC(O)C(CC(C)C)CN1C([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/i4D3,5D2,6D2,8D,9D
InChIKeyWEQLWGNDNRARGE-YHZIYZIFSA-N
MW328.50 g/mol
LogP3.03
Rot. Bonds5

About 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

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 (PubChem CID 54764972) has the molecular formula C19H29NO3 and a molecular weight of 328.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,6,7,7,8,11-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3,4,11b-tetrahydro-1H-benzo[a]quinolizin-2-ol
PubChem CID54764972
Molecular FormulaC19H29NO3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Name6,6,7,7,8,11-hexadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3,4,11b-tetrahydro-1H-benzo[a]quinolizin-2-ol
SMILES[2H]c1c(OC([2H])([2H])[2H])c(OC)c([2H])c2c1C1CC(O)C(CC(C)C)CN1C([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/i4D3,5D2,6D2,8D,9D
InChIKeyWEQLWGNDNRARGE-YHZIYZIFSA-N
XLogP3.03
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 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

bis(1,1,2,3,6,6,7,7,8,11-decadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol);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;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;6,6,7,7,8,11-hexadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-2,3,4,11b-tetrahydro-1H-benzo[a]quinolizin-2-ol
CID 159769040
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
[2,6,6,7,7,8,11-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,11b-tetrahydrobenzo[a]quinolizin-2-yl] (2S)-2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoate;[6,6,7,7,8,11-hexadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,11b-tetrahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoate;[6,6,7,7,8,11-hexadeuterio-10-methoxy-3-(2-methylpropyl)-9-(trideuteriomethoxy)-2,3,4,11b-tetrahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoate
CID 159620441
[2,6,6,7,7,8,11-heptadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,11b-tetrahydrobenzo[a]quinolizin-2-yl] (2S)-2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoate
CID 118922632
4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
CID 58030439
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
1,1,2,3,6,6,7,7-octadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-4,11b-dihydrobenzo[a]quinolizin-2-ol;1,1,2,3,6,6,7,7-octadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol;bis(6,6,7,7-tetradeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-2,3,4,11b-tetrahydro-1H-benzo[a]quinolizin-2-ol);6,6,7,7-tetradeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3,4,11b-tetrahydro-1H-benzo[a]quinolizin-2-ol;bis(6,6,7,7-tetradeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-2,3,4,11b-tetrahydro-1H-benzo[a]quinolizin-2-ol)
CID 160666117
(2R,3S,11bS)-2,6,6,7,7-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,11b-tetrahydrobenzo[a]quinolizin-2-ol
CID 122415230
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
bis(4,4,6,6,7,7,8,11,11b-nonadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol);4,4,6,6,7,7,8,11,11b-nonadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;4,4,6,6,7,7,8,11,11b-nonadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;4,4,6,6,7,7,8,11,11b-nonadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-2,3-dihydro-1H-benzo[a]quinolizin-2-ol;1,1,2,3,4,4,6,6,7,7,8,11-dodecadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-11bH-benzo[a]quinolizin-2-ol
CID 159501135
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
3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 54755448

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c(OC([2H])([2H])[2H])c(OC)c([2H])c2c1C1CC(O)C(CC(C)C)CN1C([2H])([2H])C2([2H])[2H].
What is the InChIKey of 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?
The InChIKey is WEQLWGNDNRARGE-YHZIYZIFSA-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/i4D3,5D2,6D2,8D,9D.
What are the key properties of 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?
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 has a molecular weight of 328.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54764972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).