Basic information
- Standard SMILES
COC(=O)c1ncc2cc(Oc3ccccc3)ccc2c1O- InChIKey
YTWDBRIDKWWANA-UHFFFAOYSA-N- Molecular formula
- C17H13NO4
- Average molar mass
- 295.29 g/mol
Names & identifiers
- Preferred name
- Methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
- IUPAC
- methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
Names & synonyms
1455091-10-7Methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate3-Isoquinolinecarboxylic acid, 4-hydroxy-7-phenoxy-, methyl esterMFCD290754364-Hydroxy-7-phenoxy-3-isoquinolinecarboxylic acid methyl ester4-Hydroxy-7-phenoxyisoquinoline-3-carboxylic acid methyl esterFG4592 intermediatesRoxadustat Impurity N15FG-4592 interMediateROXA-030SCHEMBL15268823SCHEMBL28497408
Show more names
SCHEMBL29898493SCHEMBL31238805FG-4592 INTYTWDBRIDKWWANA-UHFFFAOYSA-NAKOS027461061SB18195AC-29972DS-19187
Database identifiers
- PubChem CID
- 86709142
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
26 records
Compound notes
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