Basic information
- CAS
78860-04-5- Standard SMILES
N#Cc1cc2ccccc2n(Cc2ccccc2)c1=O- InChIKey
AXXAPWVIXAWFQK-UHFFFAOYSA-N- Molecular formula
- C17H12N2O
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.09496301
Names & identifiers
- Preferred name
- 1-Benzyl-2-oxo-1,2-dihydro-3-quinolinecarbonitrile
- IUPAC
- 1-benzyl-2-oxoquinoline-3-carbonitrile
Names & synonyms
78860-04-51-Benzyl-2-oxo-1,2-dihydro-3-quinolinecarbonitrile1-Benzyl-2-oxo-1,2-dihydroquinoline-3-carbonitrileNSC3563528ODI8L8LDQ1-Benzyl-3-cyano-2-quinoloneNSC-356352NSC 356352UNII-8ODI8L8LDQSCHEMBL9356192DTXSID902293441-benzyl-2-oxo-quinoline-3-carbonitrile
Show more names
3-Quinolinecarbonitrile, 1,2-dihydro-2-oxo-1-(phenylmethyl)-1,2-DIHYDRO-2-OXO-1-(PHENYLMETHYL)-3-QUINOLINECARBONITRILE
Database identifiers
- CAS
78860-04-5- PubChem CID
- 337622
- DTXSID
DTXSID90229344- UNII
- 8ODI8L8LDQ
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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