Basic information
- CAS
108445-82-5- Standard SMILES
COc1cc2c(cc1OC)C(C)Cn1c-2cc(=Nc2c(C(C)C)cccc2C(C)C)n(C)c1=O.Cl- InChIKey
BWFPRRDXLGWAOI-UHFFFAOYSA-N- Molecular formula
- C28H36ClN3O3
- Average molar mass
- 498.1 g/mol
- Monoisotopic mass
- 497.2445197
Names & identifiers
- Preferred name
- 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-bis(1-methylethyl)phenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)-
- IUPAC
- 2-[2,6-di(propan-2-yl)phenyl]imino-9,10-dimethoxy-3,7-dimethyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
Names & synonyms
108445-82-54H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-bis(1-methylethyl)phenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)-
Database identifiers
- CAS
108445-82-5- PubChem CID
- 3065601
Properties
Computed structural properties
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 791
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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