Basic information
- CAS
41058-56-4- Standard SMILES
CN(C)CCN1C(=O)Cc2ccccc2C1=O- InChIKey
WGRXSZJLBXDYSS-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- 2-(2-(Dimethylamino)ethyl)isoquinoline-1,3(2H,4H)-dione
- IUPAC
- 2-[2-(dimethylamino)ethyl]-4H-isoquinoline-1,3-dione
Names & synonyms
41058-56-42-(2-(Dimethylamino)ethyl)isoquinoline-1,3(2H,4H)-dione2-[2-(dimethylamino)ethyl]isoquinoline-1,3(2H,4H)-dioneSCHEMBL11850017DTXSID803266341,3(2H,4H)-Isoquinolinedione, 2-[2-(dimethylamino)ethyl]-
Database identifiers
- CAS
41058-56-4- PubChem CID
- 354540
- DTXSID
DTXSID80326634
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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