(1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine

C18H24N2 — CID 23242606

IUPAC(1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
SMILESCC[C@@H]1CCCN2CCc3c(n(C)c4ccccc34)[C@H]12
InChIInChI=1S/C18H24N2/c1-3-13-7-6-11-20-12-10-15-14-8-4-5-9-16(14)19(2)18(15)17(13)20/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3/t13-,17+/m1/s1
InChIKeyRZYAPXPQQWFDEG-DYVFJYSZSA-N
MW268.40 g/mol
LogP3.90
Rot. Bonds1

About (1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine

(1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine (PubChem CID 23242606) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine.

Molecular Properties

Compound Name(1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
PubChem CID23242606
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name(1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
SMILESCC[C@@H]1CCCN2CCc3c(n(C)c4ccccc34)[C@H]12
InChIInChI=1S/C18H24N2/c1-3-13-7-6-11-20-12-10-15-14-8-4-5-9-16(14)19(2)18(15)17(13)20/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3/t13-,17+/m1/s1
InChIKeyRZYAPXPQQWFDEG-DYVFJYSZSA-N
XLogP3.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 68817099
(12-phenyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl)methanol
CID 70395093
(15R,19S)-16-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
CID 67736845
1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
CID 13187005
1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58793158
ethane;16-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ol
CID 91547722
1-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-16-yl)-N,N-dimethylmethanamine;ethane
CID 91576966
(1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine
CID 23327272
(15R,19S)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 170836008
(15S,17S)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 91382521
(15S,17R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
CID 91164435
9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole
CID 58092314

Frequently Asked Questions

What is the IUPAC name of (1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine?
The IUPAC name of (1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine (CID 23242606) is (1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine.
What is the SMILES notation for (1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine?
The canonical SMILES for (1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine is CC[C@@H]1CCCN2CCc3c(n(C)c4ccccc34)[C@H]12.
What is the InChIKey of (1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine?
The InChIKey is RZYAPXPQQWFDEG-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-13-7-6-11-20-12-10-15-14-8-4-5-9-16(14)19(2)18(15)17(13)20/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3/t13-,17+/m1/s1.
What are the key properties of (1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine?
(1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine has a molecular weight of 268.40 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine is sourced from PubChem (CID 23242606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).