2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol

C20H28N2O2 — CID 14414973

IUPAC2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol
SMILESCCC1CN2CCc3c([nH]c4cc(OC)ccc34)C2CC1CCO
InChIInChI=1S/C20H28N2O2/c1-3-13-12-22-8-6-17-16-5-4-15(24-2)11-18(16)21-20(17)19(22)10-14(13)7-9-23/h4-5,11,13-14,19,21,23H,3,6-10,12H2,1-2H3
InChIKeyCAPOXAFTSMHBKG-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.50
Rot. Bonds4

About 2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol

2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol (PubChem CID 14414973) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol
PubChem CID14414973
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol
SMILESCCC1CN2CCc3c([nH]c4cc(OC)ccc34)C2CC1CCO
InChIInChI=1S/C20H28N2O2/c1-3-13-12-22-8-6-17-16-5-4-15(24-2)11-18(16)21-20(17)19(22)10-14(13)7-9-23/h4-5,11,13-14,19,21,23H,3,6-10,12H2,1-2H3
InChIKeyCAPOXAFTSMHBKG-UHFFFAOYSA-N
XLogP3.50
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,3R,12bS)-3-ethenyl-9-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]ethanol
CID 14488051
[(2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]methanol
CID 139254427
methyl (1S,15S,18S,19S,20R)-18-hydroxy-6-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CID 163019272
methyl (2S)-2-[(2R,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-[(2R,3R)-3-ethyl-2-(2-hydroxyethyl)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7-yl]propanoate
CID 163168012
(1S,15S,17S,18S,19S,20R)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
CID 125038920
(1R,15S,17R,18R,19S,20S)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CID 131742677
[(15R,16R)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate
CID 57411018
methyl (1R,15S,17R,18R)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
CID 172866502
3-ethyl-2-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-3-ylmethyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
CID 78385380
1-[(6-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-17-yl)oxy]-3-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 162855104
[(16S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;molecular hydrogen
CID 161095902
2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine;hydrochloride
CID 45481460

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol?
The IUPAC name of 2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol (CID 14414973) is 2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol.
What is the SMILES notation for 2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol?
The canonical SMILES for 2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol is CCC1CN2CCc3c([nH]c4cc(OC)ccc34)C2CC1CCO.
What is the InChIKey of 2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol?
The InChIKey is CAPOXAFTSMHBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-13-12-22-8-6-17-16-5-4-15(24-2)11-18(16)21-20(17)19(22)10-14(13)7-9-23/h4-5,11,13-14,19,21,23H,3,6-10,12H2,1-2H3.
What are the key properties of 2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol?
2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol has a molecular weight of 328.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol is sourced from PubChem (CID 14414973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).