9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one

C17H20N2O2 — CID 54248869

IUPAC9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one
SMILESCOc1ccc2c(c1)c1c(n2C)C2CCCC(=O)N2CC1
InChIInChI=1S/C17H20N2O2/c1-18-14-7-6-11(21-2)10-13(14)12-8-9-19-15(17(12)18)4-3-5-16(19)20/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyQVHKTDJNSFJWLY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.80
Rot. Bonds1

About 9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one

9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one (PubChem CID 54248869) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one.

Molecular Properties

Compound Name9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one
PubChem CID54248869
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one
SMILESCOc1ccc2c(c1)c1c(n2C)C2CCCC(=O)N2CC1
InChIInChI=1S/C17H20N2O2/c1-18-14-7-6-11(21-2)10-13(14)12-8-9-19-15(17(12)18)4-3-5-16(19)20/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKeyQVHKTDJNSFJWLY-UHFFFAOYSA-N
XLogP2.80
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one?
The IUPAC name of 9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one (CID 54248869) is 9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one.
What is the SMILES notation for 9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one?
The canonical SMILES for 9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one is COc1ccc2c(c1)c1c(n2C)C2CCCC(=O)N2CC1.
What is the InChIKey of 9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one?
The InChIKey is QVHKTDJNSFJWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18-14-7-6-11(21-2)10-13(14)12-8-9-19-15(17(12)18)4-3-5-16(19)20/h6-7,10,15H,3-5,8-9H2,1-2H3.
What are the key properties of 9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one?
9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one has a molecular weight of 284.36 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one is sourced from PubChem (CID 54248869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).