Basic information
- Standard SMILES
COc1ccc2c(c1I)C(=O)N(Cc1c(C)cc(C)nc1OCc1ccccc1)CC2- InChIKey
OZTJXQNLAQFXDK-UHFFFAOYSA-N- Molecular formula
- C25H25IN2O3
- Average molar mass
- 528.4 g/mol
- Monoisotopic mass
- 528.09099
Names & identifiers
- Preferred name
- 2-{[2-(benzyloxy)-4,6-dimethylpyridin-3-yl]methyl}-8-iodo-7-methoxy-3,4-dihydroisoquinolin-1(2H)-one
- IUPAC
- 2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-8-iodo-7-methoxy-3,4-dihydroisoquinolin-1-one
Names & synonyms
SCHEMBL15814304OZTJXQNLAQFXDK-UHFFFAOYSA-N2-{[2-(benzyloxy)-4,6-dimethylpyridin-3-yl]methyl}-8-iodo-7-methoxy-3,4-dihydroisoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 86723707
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 599
Related reactions
2 records
Compound notes
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