Basic information
- Standard SMILES
Cc1nc(-c2ccc(Cl)cc2Cl)c(C)nc1Nc1nccc2ccccc12- InChIKey
LWDQICNILGRMIZ-UHFFFAOYSA-N- Molecular formula
- C21H16Cl2N4
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 394.0752019
Names & identifiers
- Preferred name
- N-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]isoquinolin-1-amine
- IUPAC
- N-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]isoquinolin-1-amine
Names & synonyms
SCHEMBL6099930LWDQICNILGRMIZ-UHFFFAOYSA-NN-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]isoquinolin 1-amineN-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]isoquinolin-1-amine
Database identifiers
- PubChem CID
- 22147487
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 493
Related reactions
3 records
Compound notes
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