Basic information
- Standard SMILES
N#CCOc1cccc(C=CC(=O)c2c(O)c3ccccc3[nH]c2=O)c1- InChIKey
SEIPQSSFQLKUOB-UHFFFAOYSA-N- Molecular formula
- C20H14N2O4
- Average molar mass
- 346.3 g/mol
Names & identifiers
- Preferred name
- 4-hydroxy-3-[3-[3-(cyanomethoxy)phenyl]-1-oxo-2-propenyl]-2(1H)-quinolinone
- IUPAC
- 2-[3-[3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile
Names & synonyms
SCHEMBL2282420SEIPQSSFQLKUOB-UHFFFAOYSA-N4-hydroxy-3-[3-[3-(cyanomethoxy)phenyl]-1-oxo-2-propenyl]-2(1H)-quinolinone
Database identifiers
- PubChem CID
- 67347175
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 673
Related reactions
2 records
Compound notes
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