4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (+-)-
Basic information
- CAS
108508-86-7- Standard SMILES
COc1cc2c(cc1OC)-c1cc(Nc3c(C)cc(C)cc3C)nc(=O)n1C(C)C2.Cl- InChIKey
NXEKUUKRRZWXMA-UHFFFAOYSA-N- Molecular formula
- C24H28ClN3O3
- Average molar mass
- 441.9 g/mol
- Monoisotopic mass
- 441.1819195
Names & identifiers
- Preferred name
- 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (+-)-
- IUPAC
- 9,10-dimethoxy-6-methyl-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
Names & synonyms
108508-86-74H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (+-)-RefChem:1072058
Database identifiers
- CAS
108508-86-7- PubChem CID
- 3065639
Properties
Computed structural properties
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 708
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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