2-(2-Phenylethyl)-1,3(2H,4H)-isoquinolinedione
Basic information
- CAS
53558-67-1- Standard SMILES
O=C1Cc2ccccc2C(=O)N1CCc1ccccc1- InChIKey
IAHXZWGZTKAXQE-UHFFFAOYSA-N- Molecular formula
- C17H15NO2
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.11027872
Names & identifiers
- Preferred name
- 2-(2-Phenylethyl)-1,3(2H,4H)-isoquinolinedione
- IUPAC
- 2-(2-phenylethyl)-4H-isoquinoline-1,3-dione
Names & synonyms
2-(2-Phenylethyl)-1,3(2H,4H)-isoquinolinedione53558-67-1RefChem:251055MLS000119149SMR0000960842-(2-phenylethyl)-4H-isoquinoline-1,3-dione2-(2-phenylethyl)isoquinoline-1,3(2H,4H)-dione4H-Isoquinoline-1,3-dione, 2-phenethyl-cid_713096SCHEMBL2591104CHEMBL1331912BDBM38837
Show more names
IAHXZWGZTKAXQE-UHFFFAOYSA-NDTXSID401247152HMS1601M06HMS2260G17STK226868AKOS0033489392-phenethyl-4H-isoquinoline-1,3-quinoneST058772
Database identifiers
- CAS
53558-67-1- PubChem CID
- 713096
- DTXSID
DTXSID401247152- ChEMBL
CHEMBL1331912- Nikkaji
- J769.333H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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