Basic information
- Standard SMILES
COC(=O)C1(CNC(=O)c2nc(C#N)c3cc(Oc4ccccc4)ccc3c2O)CCC1- InChIKey
ASYHFKKOJGNZNO-UHFFFAOYSA-N- Molecular formula
- C24H21N3O5
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 431.14812078
Names & identifiers
- Preferred name
- 1-{[(1-Cyano-4-hydroxy-7-phenoxy-isoquinoline-3-carbonyl)-amino]-methyl}-cyclobutanecarboxylic acid methyl ester
- IUPAC
- methyl 1-[[(1-cyano-4-hydroxy-7-phenoxyisoquinoline-3-carbonyl)amino]methyl]cyclobutane-1-carboxylate
Names & synonyms
SCHEMBL15268636ASYHFKKOJGNZNO-UHFFFAOYSA-N1-{[(1-Cyano-4-hydroxy-7-phenoxy-isoquinoline-3-carbonyl)-amino]-methyl}-cyclobutanecarboxylic acid methyl ester
Database identifiers
- PubChem CID
- 89812968
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 739
Related reactions
1 records
Compound notes
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