Basic information
- Standard SMILES
Cc1ccncc1N1CCc2cc(Cl)c(Cl)cc2C1=O- InChIKey
VYCDIDQJKWKYPC-UHFFFAOYSA-N- Molecular formula
- C15H12Cl2N2O
- Average molar mass
- 307.2 g/mol
- Monoisotopic mass
- 306.0326684
Names & identifiers
- Preferred name
- 6,7-Dichloro-2-(4-methyl-pyridin-3-yl)-3,4-dihydro-2H-isoquinolin-1-one
- IUPAC
- 6,7-dichloro-2-(4-methyl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one
Names & synonyms
SCHEMBL15467173VYCDIDQJKWKYPC-UHFFFAOYSA-N6,7-Dichloro-2-(4-methyl-pyridin-3-yl)-3,4-dihydro-2H-isoquinolin-1-one
Database identifiers
- PubChem CID
- 89964324
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Related reactions
1 records
Compound notes
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