4-[2-(2-Methoxy-4-pyridinyl)ethenyl]-1(2H)-isoquinolinone
Basic information
- CAS
355013-81-9- Standard SMILES
COc1cc(C=Cc2c[nH]c(=O)c3ccccc23)ccn1- InChIKey
ASJMCSOKPAEJIZ-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10552769
Names & identifiers
- Preferred name
- 4-[2-(2-Methoxy-4-pyridinyl)ethenyl]-1(2H)-isoquinolinone
- IUPAC
- 4-[2-(2-methoxy-4-pyridinyl)ethenyl]-2H-isoquinolin-1-one
Names & synonyms
SCHEMBL4829984DTXSID7011951824-[2-(2-Methoxy-4-pyridinyl)ethenyl]-1(2H)-isoquinolinone4-[2-(2-Methoxypyridin-4-yl)ethenyl]isoquinolin-1(2H)-one355013-81-9
Database identifiers
- CAS
355013-81-9- PubChem CID
- 69207267
- DTXSID
DTXSID701195182
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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