Basic information
- Standard SMILES
Cc1ccccc1N1CCN(c2cc3cc[nH]c(=O)c3cc2[N+](=O)[O-])CC1- InChIKey
BDIJOZZSTXALHN-UHFFFAOYSA-N- Molecular formula
- C20H20N4O3
- Average molar mass
- 364.4 g/mol
Names & identifiers
- Preferred name
- 7-nitro-6-(4-o-tolyl-piperazin-1-yl)-2H-isoquinolin-1-one
- IUPAC
- 6-[4-(2-methylphenyl)piperazin-1-yl]-7-nitro-2H-isoquinolin-1-one
Names & synonyms
SCHEMBL15111440SCHEMBL15114339BDIJOZZSTXALHN-UHFFFAOYSA-N7-nitro-6-(4-o-tolyl-piperazin-1-yl)-2H-isoquinolin-1-one
Database identifiers
- PubChem CID
- 89690632
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 597
Related reactions
2 records
Compound notes
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