Basic information
- CAS
108446-18-0- Standard SMILES
COc1cc2c(cc1OC)C(C)(C)Cn1c-2cc(=Nc2c(C)cc(C)cc2C)n(C)c1=O- InChIKey
OJTPNRQOKSMXOT-UHFFFAOYSA-N- Molecular formula
- C26H31N3O3
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.23654186
Names & identifiers
- Preferred name
- 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
- IUPAC
- 9,10-dimethoxy-3,7,7-trimethyl-2-(2,4,6-trimethylphenyl)imino-6H-pyrimido[6,1-a]isoquinolin-4-one
Names & synonyms
108446-18-04H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochlorideSCHEMBL2458945SCHEMBL2458947
Database identifiers
- CAS
108446-18-0- PubChem CID
- 3065635
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 779
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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