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

C18H24N2 — CID 171986129

IUPAC12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
SMILESCCn1c2c(c3ccccc31)CCN1CCC(C)CC21
InChIInChI=1S/C18H24N2/c1-3-20-16-7-5-4-6-14(16)15-9-11-19-10-8-13(2)12-17(19)18(15)20/h4-7,13,17H,3,8-12H2,1-2H3
InChIKeyKGYAKZNAEBWNSD-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.99
Rot. Bonds1

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

12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine (PubChem CID 171986129) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine.

Molecular Properties

Compound Name12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
PubChem CID171986129
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
SMILESCCn1c2c(c3ccccc31)CCN1CCC(C)CC21
InChIInChI=1S/C18H24N2/c1-3-20-16-7-5-4-6-14(16)15-9-11-19-10-8-13(2)12-17(19)18(15)20/h4-7,13,17H,3,8-12H2,1-2H3
InChIKeyKGYAKZNAEBWNSD-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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 12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine?
The IUPAC name of 12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine (CID 171986129) is 12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine.
What is the SMILES notation for 12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine?
The canonical SMILES for 12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine is CCn1c2c(c3ccccc31)CCN1CCC(C)CC21.
What is the InChIKey of 12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine?
The InChIKey is KGYAKZNAEBWNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-20-16-7-5-4-6-14(16)15-9-11-19-10-8-13(2)12-17(19)18(15)20/h4-7,13,17H,3,8-12H2,1-2H3.
What are the key properties of 12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine?
12-ethyl-2-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 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-2-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine is sourced from PubChem (CID 171986129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).