2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine

C16H20N2 — CID 14539367

IUPAC2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
SMILESCC1CCN2CCc3c([nH]c4ccccc34)C2C1
InChIInChI=1S/C16H20N2/c1-11-6-8-18-9-7-13-12-4-2-3-5-14(12)17-16(13)15(18)10-11/h2-5,11,15,17H,6-10H2,1H3
InChIKeyRAGBGCLEOLTWAD-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.50
Rot. Bonds

About 2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine

2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine (PubChem CID 14539367) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine.

Molecular Properties

Compound Name2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
PubChem CID14539367
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
SMILESCC1CCN2CCc3c([nH]c4ccccc34)C2C1
InChIInChI=1S/C16H20N2/c1-11-6-8-18-9-7-13-12-4-2-3-5-14(12)17-16(13)15(18)10-11/h2-5,11,15,17H,6-10H2,1H3
InChIKeyRAGBGCLEOLTWAD-UHFFFAOYSA-N
XLogP3.50
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine?
The IUPAC name of 2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine (CID 14539367) is 2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine.
What is the SMILES notation for 2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine?
The canonical SMILES for 2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine is CC1CCN2CCc3c([nH]c4ccccc34)C2C1.
What is the InChIKey of 2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine?
The InChIKey is RAGBGCLEOLTWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-6-8-18-9-7-13-12-4-2-3-5-14(12)17-16(13)15(18)10-11/h2-5,11,15,17H,6-10H2,1H3.
What are the key properties of 2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine?
2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine has a molecular weight of 240.35 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine is sourced from PubChem (CID 14539367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).