2,3,10,11-Tetramethoxy-6-methyl-7lambda(5)-isoquino(3,2-a)isoquinoline

HCID 494191

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Basic information

CAS: 47539-06-0
Standard SMILES: COc1cc2cc3c4cc(OC)c(OC)cc4cc(C)[n+]3cc2cc1OC
InChIKey: GMPFYSPIYKEORH-UHFFFAOYSA-N
Molecular formula: C22H22NO4+
Average molar mass: 364.4 g/mol
Monoisotopic mass: 364.15488318

Names & identifiers

Preferred name: 2,3,10,11-Tetramethoxy-6-methyl-7lambda(5)-isoquino(3,2-a)isoquinoline
IUPAC: 2,3,10,11-tetramethoxy-6-methylisoquinolino[3,2-a]isoquinolin-7-ium

Names & synonyms

2,3,10,11-Tetramethoxy-6-methyl-7lambda(5)-isoquino(3,2-a)isoquinoline59276-07-2NSC 256934NSC256934AllocoralyneEKK7GY6X39CHEMBL3307007DTXSID602079922,3,10,11-tetramethoxy-6-methylisoquinolino[3,2-a]isoquinolin-7-ium2,3,10,11-Tetramethoxy-6-methyldibenzo[a,g]quinoliziniumDibenzo[a,g]quinolizinium, 2,3,10,11-tetramethoxy-6-methyl-2,3,10,11-tetramethoxy-7-methyl-6lambda5-azatetraphen-6-ylium

Show more names

{Dibenzo[a,g]quinolizinium,} 2,3,10,11-tetramethoxy-6-methyl-, chloride2,3,10,11-tetramethoxy-6-methyl-isoquinolino[3,2-a]isoquinolin-7-ium2,3,10,11-Tetramethoxy-6-methyl-7.lambda.~5~-isoquino[3,2-a]isoquinoline47539-06-0

Database identifiers

CAS: 47539-06-0、59276-07-2
PubChem CID: 494191
DTXSID: DTXSID60207992
ChEMBL: CHEMBL3307007
UNII: EKK7GY6X39

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 41 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 1
Complexity: 503

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