3(2H)-Isoquinolinone, 1,4-dihydro-1-(3-amino-2,6-dichlorophenyl)-
Basic information
- CAS
64097-20-7- Standard SMILES
Nc1ccc(Cl)c(C2NC(=O)Cc3ccccc32)c1Cl- InChIKey
RHJGJTBCYQLFNY-UHFFFAOYSA-N- Molecular formula
- C15H12Cl2N2O
- Average molar mass
- 307.2 g/mol
- Monoisotopic mass
- 306.0326684
Names & identifiers
- Preferred name
- 3(2H)-Isoquinolinone, 1,4-dihydro-1-(3-amino-2,6-dichlorophenyl)-
- IUPAC
- 1-(3-amino-2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
Names & synonyms
64097-20-73(2H)-Isoquinolinone, 1,4-dihydro-1-(3-amino-2,6-dichlorophenyl)-RefChem:1065436BRN 04278541,4-Dihydro-1-(3-amino-2,6-dichlorophenyl)-3(2H)-isoquinolinoneCHEMBL3277838DTXSID309826031-(3-Amino-2,6-dichlorophenyl)-1,4-dihydroisoquinolin-3-ol
Database identifiers
- CAS
64097-20-7- PubChem CID
- 3048892
- DTXSID
DTXSID30982603- ChEMBL
CHEMBL3277838
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…