(2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol

C23H37NO3 — CID 10643203

IUPAC(2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
SMILESCOc1cc2c(cc1OC)[C@H]1C[C@@](O)(CC(C)C)[C@H](CC(C)C)CN1CC2
InChIInChI=1S/C23H37NO3/c1-15(2)9-18-14-24-8-7-17-10-21(26-5)22(27-6)11-19(17)20(24)13-23(18,25)12-16(3)4/h10-11,15-16,18,20,25H,7-9,12-14H2,1-6H3/t18-,20-,23+/m1/s1
InChIKeyZBSZLVFJWBKRQS-XQFWAAQXSA-N
MW375.55 g/mol
LogP4.45
Rot. Bonds6

About (2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol

(2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol (PubChem CID 10643203) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is (2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol.

Molecular Properties

Compound Name(2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
PubChem CID10643203
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC Name(2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
SMILESCOc1cc2c(cc1OC)[C@H]1C[C@@](O)(CC(C)C)[C@H](CC(C)C)CN1CC2
InChIInChI=1S/C23H37NO3/c1-15(2)9-18-14-24-8-7-17-10-21(26-5)22(27-6)11-19(17)20(24)13-23(18,25)12-16(3)4/h10-11,15-16,18,20,25H,7-9,12-14H2,1-6H3/t18-,20-,23+/m1/s1
InChIKeyZBSZLVFJWBKRQS-XQFWAAQXSA-N
XLogP4.45
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

2-ethyl-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
CID 9345
benzyl (2S,3R)-2-hydroxy-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-carboxylate
CID 174140383
(3S,11bR)-9,10-dimethoxy-2-methylidene-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine
CID 56933725
(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
(2R,3R,3'R,11bR)-9-(3-fluoropropoxy)-10-methoxy-3'-methyl-3-(2-methylpropyl)spiro[1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2,2'-oxirane]
CID 143575881
(2R,3S,11bS)-3-ethyl-2-hydroxy-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-carbonitrile
CID 98535679
(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-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 7059638
(2S,3S,11bS)-2-(3-(18F)fluoropropyl)-9,10-bis(hydroxymethyl)-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
CID 58402660
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one;hydrochloride
CID 18913474
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one;ethane
CID 143088515
(2R,3S,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-2-carboxylic acid
CID 118302028

Frequently Asked Questions

What is the IUPAC name of (2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol?
The IUPAC name of (2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol (CID 10643203) is (2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol.
What is the SMILES notation for (2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol?
The canonical SMILES for (2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol is COc1cc2c(cc1OC)[C@H]1C[C@@](O)(CC(C)C)[C@H](CC(C)C)CN1CC2.
What is the InChIKey of (2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol?
The InChIKey is ZBSZLVFJWBKRQS-XQFWAAQXSA-N. The full InChI is InChI=1S/C23H37NO3/c1-15(2)9-18-14-24-8-7-17-10-21(26-5)22(27-6)11-19(17)20(24)13-23(18,25)12-16(3)4/h10-11,15-16,18,20,25H,7-9,12-14H2,1-6H3/t18-,20-,23+/m1/s1.
What are the key properties of (2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol?
(2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol has a molecular weight of 375.55 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,11bR)-9,10-dimethoxy-2,3-bis(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol is sourced from PubChem (CID 10643203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).