Basic information
- Standard SMILES
N#CC=Cc1ccc2cc(CN3C(=O)c4ccccc4C3=O)ccc2n1- InChIKey
OPRJPKWAPRUQET-UHFFFAOYSA-N- Molecular formula
- C21H13N3O2
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.10077667
Names & identifiers
- Preferred name
- 3-[6-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-quinolin-2-yl]-acrylonitrile
- IUPAC
- 3-[6-[(1,3-dioxoisoindol-2-yl)methyl]quinolin-2-yl]prop-2-enenitrile
Names & synonyms
SCHEMBL1205572OPRJPKWAPRUQET-UHFFFAOYSA-N3-[6-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-quinolin-2-yl]-acrylonitrile
Database identifiers
- PubChem CID
- 66941508
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 625
Related reactions
3 records
Compound notes
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