7-Methoxy-3-(2-methoxyphenyl)isoquinoline-2-oxide
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Basic information
- Standard SMILES
COc1ccc2cc(-c3ccccc3OC)[n+]([O-])cc2c1- InChIKey
YDQUOHBYWQEODE-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
Names & identifiers
- Preferred name
- 7-Methoxy-3-(2-methoxyphenyl)isoquinoline-2-oxide
- IUPAC
- 7-methoxy-3-(2-methoxyphenyl)-2-oxidoisoquinolin-2-ium
Names & synonyms
SCHEMBL4765695YDQUOHBYWQEODE-UHFFFAOYSA-N7-Methoxy-3-(2-methoxyphenyl)isoquinoline-2-oxide
Database identifiers
- PubChem CID
- 22503544
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Related reactions
4 records
Compound notes
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