Basic information
- Standard SMILES
CCCCOC(=O)c1nc(Oc2ccccc2)c2ccccc2c1O- InChIKey
BLRYKCVIEWJQGF-UHFFFAOYSA-N- Molecular formula
- C20H19NO4
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.13140809
Names & identifiers
- Preferred name
- 4-Hydroxy-1-phenoxy-isoquinoline-3-carboxylic acid butyl ester
- IUPAC
- butyl 4-hydroxy-1-phenoxyisoquinoline-3-carboxylate
Names & synonyms
SCHEMBL522895BLRYKCVIEWJQGF-UHFFFAOYSA-N4-Hydroxy-1-phenoxy-isoquinoline-3-carboxylic acid butyl ester
Database identifiers
- PubChem CID
- 66712944
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 424
Related reactions
17 records
Compound notes
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