Basic information
- Standard SMILES
N#Cc1c(N2CCNCC2)c2cccnc2n(Cc2ccccc2)c1=O- InChIKey
KGZXBRGZERQVSK-UHFFFAOYSA-N- Molecular formula
- C20H19N5O
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.15896025
Names & identifiers
- Preferred name
- 1-Benzyl-2-oxo-4-piperazin-1-yl-1,2-dihydro-[1,8]-naphthyridine-3-carbonitrile
- IUPAC
- 1-benzyl-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carbonitrile
Names & synonyms
SCHEMBL4848428KGZXBRGZERQVSK-UHFFFAOYSA-N1-Benzyl-2-oxo-4-piperazin-1-yl-1,2-dihydro-[1,8]-naphthyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 59699562
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 609
Related reactions
3 records
Compound notes
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