Basic information
- CAS
108508-89-0- Standard SMILES
COc1cc2c(cc1OC)C(C)Cn1c-2cc(=Nc2c(C)cc(C)cc2C)n(C)c1=O.Cl- InChIKey
AXTCECZBLPQVOQ-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, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
- IUPAC
- 9,10-dimethoxy-3,7-dimethyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
Names & synonyms
108508-89-04H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
Database identifiers
- CAS
108508-89-0- PubChem CID
- 3065643
Properties
Computed structural properties
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 738
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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