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

C18H24N2 — CID 68817099

IUPAC1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
SMILESCCC1CCCN2CCc3c(n(C)c4ccccc34)C12
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
InChIKeyRZYAPXPQQWFDEG-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.90
Rot. Bonds1

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

1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine (PubChem CID 68817099) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine.

Molecular Properties

Compound Name1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
PubChem CID68817099
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
SMILESCCC1CCCN2CCc3c(n(C)c4ccccc34)C12
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
InChIKeyRZYAPXPQQWFDEG-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine?
The IUPAC name of 1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine (CID 68817099) is 1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine.
What is the SMILES notation for 1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine?
The canonical SMILES for 1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine is CCC1CCCN2CCc3c(n(C)c4ccccc34)C12.
What is the InChIKey of 1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine?
The InChIKey is RZYAPXPQQWFDEG-UHFFFAOYSA-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.
What are the key properties of 1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine?
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 1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine is sourced from PubChem (CID 68817099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).