4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-ethyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (+-)-
Basic information
- CAS
108508-87-8- Standard SMILES
CCC1Cc2cc(OC)c(OC)cc2-c2cc(Nc3c(C)cc(C)cc3C)nc(=O)n21.Cl- InChIKey
APLTWBDEQQCFPR-UHFFFAOYSA-N- Molecular formula
- C25H30ClN3O3
- Average molar mass
- 456 g/mol
- Monoisotopic mass
- 455.1975695
Names & identifiers
- Preferred name
- 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-ethyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (+-)-
- IUPAC
- 6-ethyl-9,10-dimethoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
Names & synonyms
108508-87-84H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-ethyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (+-)-RefChem:1072057
Database identifiers
- CAS
108508-87-8- PubChem CID
- 3065641
Properties
Computed structural properties
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 724
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Compound notes
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