Basic information
- Standard SMILES
N#Cc1c(N2CCNCC2)c2ccccc2n(Cc2ccc(F)cc2)c1=O- InChIKey
QCJZTGOMUGPQDF-UHFFFAOYSA-N- Molecular formula
- C21H19FN4O
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.1542894
Names & identifiers
- Preferred name
- 1-(4-Fluoro-benzyl)-2-oxo-4-(piperazin-1-yl)-1,2-dihydro-quinolin-3-carbonitrile
- IUPAC
- 1-[(4-fluorophenyl)methyl]-2-oxo-4-piperazin-1-ylquinoline-3-carbonitrile
Names & synonyms
SCHEMBL5529427QCJZTGOMUGPQDF-UHFFFAOYSA-N1-(4-Fluoro-benzyl)-2-oxo-4-(piperazin-1-yl)-1,2-dihydro-quinolin-3-carbonitrile
Database identifiers
- PubChem CID
- 21081889
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 640
Related reactions
5 records
Compound notes
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