4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol

C19H29NO3 — CID 58030439

IUPAC4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
SMILES[2H]c1c2c(c([2H])c(OC)c1OC)C1CC(O)C(CC(C)C)C([2H])([2H])N1CC2
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/i8D,9D,11D2
InChIKeyWEQLWGNDNRARGE-MXYYYGPKSA-N
MW323.47 g/mol
LogP3.03
Rot. Bonds4

About 4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol

4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol (PubChem CID 58030439) has the molecular formula C19H29NO3 and a molecular weight of 323.47 g/mol. Its IUPAC name is 4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol.

Molecular Properties

Compound Name4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
PubChem CID58030439
Molecular FormulaC19H29NO3
Molecular Weight323.47 g/mol
Exact Mass323.24
IUPAC Name4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
SMILES[2H]c1c2c(c([2H])c(OC)c1OC)C1CC(O)C(CC(C)C)C([2H])([2H])N1CC2
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/i8D,9D,11D2
InChIKeyWEQLWGNDNRARGE-MXYYYGPKSA-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 ≤ 500323.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol?
The IUPAC name of 4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol (CID 58030439) is 4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol.
What is the SMILES notation for 4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol?
The canonical SMILES for 4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol is [2H]c1c2c(c([2H])c(OC)c1OC)C1CC(O)C(CC(C)C)C([2H])([2H])N1CC2.
What is the InChIKey of 4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol?
The InChIKey is WEQLWGNDNRARGE-MXYYYGPKSA-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/i8D,9D,11D2.
What are the key properties of 4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol?
4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol has a molecular weight of 323.47 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 4,4,8,11-tetradeuterio-9,10-dimethoxy-3-(2-methylpropyl)-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol is sourced from PubChem (CID 58030439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).