1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol

C19H29NO3 — CID 58030445

IUPAC1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol
SMILES[2H]C1(CC(C)C)CN2CCc3cc(OC)c(OC)cc3C2([2H])C([2H])([2H])C1([2H])O
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/i10D2,14D,16D,17D
InChIKeyWEQLWGNDNRARGE-QWPMRHBFSA-N
MW324.48 g/mol
LogP3.03
Rot. Bonds4

About 1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol

1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol (PubChem CID 58030445) has the molecular formula C19H29NO3 and a molecular weight of 324.48 g/mol. Its IUPAC name is 1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol.

Molecular Properties

Compound Name1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol
PubChem CID58030445
Molecular FormulaC19H29NO3
Molecular Weight324.48 g/mol
Exact Mass324.25
IUPAC Name1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol
SMILES[2H]C1(CC(C)C)CN2CCc3cc(OC)c(OC)cc3C2([2H])C([2H])([2H])C1([2H])O
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/i10D2,14D,16D,17D
InChIKeyWEQLWGNDNRARGE-QWPMRHBFSA-N
XLogP3.03
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol with MolForge

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Related Compounds

1,1,2,3,4,4,11b-heptadeuterio-10-methoxy-3-(2-methylpropyl)-9-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol
CID 155607848
1,1,2,3,6,6,7,7,11b-nonadeuterio-10-methoxy-3-(2-methylpropyl)-9-(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-ol
CID 155607913
1,1,2,3,11b-pentadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol;bis(4,4-dideuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol);4,4-dideuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol;4,4-dideuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
CID 159640882
1,1,2,3,8,11-hexadeuterio-10-methoxy-3-(2-methylpropyl)-9-(trideuteriomethoxy)-4,6,7,11b-tetrahydrobenzo[a]quinolizin-2-ol
CID 155607838
1,1,2,3,4,4,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol;bis(1,1,2,3,4,4,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol);1,1,2,3,4,4,11b-heptadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol;6,6,7,7,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol
CID 159640912
4,4,11b-trideuterio-9,10-dimethoxy-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-benzo[a]quinolizin-2-ol;bis(1,1,2,3,6,6,7,7-octadeuterio-9,10-dimethoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-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(1,1,2,3,6,6,7,7-octadeuterio-9-methoxy-3-[1,1,3,3,3-pentadeuterio-2-methyl-2-(trideuteriomethyl)propyl]-10-(trideuteriomethoxy)-4,11b-dihydrobenzo[a]quinolizin-2-ol)
CID 162239422
(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol;9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 161184875
1,1,2,3,4,4,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-2-ol;1,1,2,3,4,4,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol;1,1,2,3,4,4,11,11b-octadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-ol;bis(6,6,7,7,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol);6,6,7,7,11b-pentadeuterio-9-methoxy-3-(2-methylpropyl)-10-(trideuteriomethoxy)-1,2,3,4-tetrahydrobenzo[a]quinolizin-2-ol
CID 158729267
[1,1,2,3,4,4,11b-heptadeuterio-10-methoxy-3-(2-methylpropyl)-9-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizin-2-yl] (2S)-2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoate
CID 118922624
1,1,2,3,8,11,11b-heptadeuterio-3-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-9-methoxy-10-(trideuteriomethoxy)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol
CID 118858127
(3S)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;methane
CID 143391971
(3S,11bR)-9,10-dimethoxy-2-methylidene-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine
CID 56933725

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol?
The IUPAC name of 1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol (CID 58030445) is 1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol.
What is the SMILES notation for 1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol?
The canonical SMILES for 1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol is [2H]C1(CC(C)C)CN2CCc3cc(OC)c(OC)cc3C2([2H])C([2H])([2H])C1([2H])O.
What is the InChIKey of 1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol?
The InChIKey is WEQLWGNDNRARGE-QWPMRHBFSA-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/i10D2,14D,16D,17D.
What are the key properties of 1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol?
1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol has a molecular weight of 324.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,11b-pentadeuterio-9,10-dimethoxy-3-(2-methylpropyl)-6,7-dihydro-4H-benzo[a]quinolizin-2-ol is sourced from PubChem (CID 58030445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).