Basic information
- Standard SMILES
Cc1ccc2c(N3CCN(CCc4cccc([N+](=O)[O-])c4)CC3)cccc2n1- InChIKey
OZYLFKLDXUCYSS-UHFFFAOYSA-N- Molecular formula
- C22H24N4O2
- Average molar mass
- 376.5 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-5-(4-[2-(3-nitrophenyl)ethyl]-1-piperazinyl}quinoline
- IUPAC
- 2-methyl-5-[4-[2-(3-nitrophenyl)ethyl]piperazin-1-yl]quinoline
Names & synonyms
2-Methyl-5-(4-[2-(3-nitrophenyl)ethyl]-1-piperazinyl}quinoline2-Methyl-5-{4-[2-(3-nitrophenyl)ethyl]-1-piperazinyl}quinolineSCHEMBL2878115OZYLFKLDXUCYSS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 49851902
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
Related reactions
20 records
Compound notes
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