Basic information
- Standard SMILES
Cc1ccccc1-n1c(CN(C)c2ncnc3c2ncn3C2CCCCO2)cc2cccc(C)c2c1=O- InChIKey
NNKJXBFIVXXKPJ-UHFFFAOYSA-N- Molecular formula
- C29H30N6O2
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.24302422
Names & identifiers
- Preferred name
- 8-Methyl-3-((methyl(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)amino)methyl)-2-o-tolylisoquinolin-1(2H)-one
- IUPAC
- 8-methyl-3-[[methyl-[9-(oxan-2-yl)purin-6-yl]amino]methyl]-2-(2-methylphenyl)isoquinolin-1-one
Names & synonyms
SCHEMBL934788SCHEMBL29479403NNKJXBFIVXXKPJ-UHFFFAOYSA-N8-Methyl-3-((methyl(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)amino)methyl)-2-o-tolylisoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 58008570
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 852
Related reactions
15 records
Compound notes
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