4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
Basic information
- CAS
108446-04-4- Standard SMILES
Cc1cc(C)c(N=c2cc3n(c(=O)n2C)C(C)Cc2cc4c(cc2-3)OCO4)c(C)c1.Cl- InChIKey
NYKUQEYVDPSZGN-UHFFFAOYSA-N- Molecular formula
- C24H26ClN3O3
- Average molar mass
- 439.9 g/mol
- Monoisotopic mass
- 439.1662694
Names & identifiers
- Preferred name
- 4H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
- IUPAC
- 5,8-dimethyl-4-(2,4,6-trimethylphenyl)imino-13,15-dioxa-5,7-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,10,12(16)-tetraen-6-one;hydrochloride
Names & synonyms
108446-04-44H-(1,3)Dioxolo(4,5-g)pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (+-)-
Database identifiers
- CAS
108446-04-4- PubChem CID
- 3065623
Properties
Computed structural properties
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 753
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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