Basic information
- Standard SMILES
Cc1ccc(CNc2ccc3c(=O)[nH]nc(Cl)c3c2)cc1C- InChIKey
VMGQYDNMMBSXGX-UHFFFAOYSA-N- Molecular formula
- C17H16ClN3O
- Average molar mass
- 313.8 g/mol
Names & identifiers
- Preferred name
- 4-chloro-6-(3,4-dimethyl-benzylamino)-2H-phthalazin-1-one
- IUPAC
- 4-chloro-6-[(3,4-dimethylphenyl)methylamino]-2H-phthalazin-1-one
Names & synonyms
SCHEMBL2456773VMGQYDNMMBSXGX-UHFFFAOYSA-N4-chloro-6-(3,4-dimethyl-benzylamino)-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 24948530
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
3 records
Compound notes
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