Basic information
- Standard SMILES
COC(=O)c1nc(COC(C)=O)c2cc(Oc3ccccc3)ccc2c1O- InChIKey
WINYLDYXBSCYCB-UHFFFAOYSA-N- Molecular formula
- C20H17NO6
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- Methyl 1-(acetoxymethyl)-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
- IUPAC
- methyl 1-(acetyloxymethyl)-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
Names & synonyms
1509958-20-6Methyl 1-(acetoxymethyl)-4-hydroxy-7-phenoxyisoquinoline-3-carboxylateRoxadustat Impurity N5SCHEMBL15421356SCHEMBL29554750SCHEMBL29895292WINYLDYXBSCYCB-UHFFFAOYSA-NDB-096147H94083F571972Methyl 1-((acetoxy)methyl)-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
Database identifiers
- PubChem CID
- 86709145
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 521
Related reactions
4 records
Compound notes
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