2-Phenylisoquinoline-1,3(2h,4h)-dione
Basic information
- CAS
4494-54-6- Standard SMILES
O=C1Cc2ccccc2C(=O)N1c1ccccc1- InChIKey
QIUJEIYANWQBLO-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Names & identifiers
- Preferred name
- 2-Phenylisoquinoline-1,3(2h,4h)-dione
- IUPAC
- 2-phenyl-4H-isoquinoline-1,3-dione
- English name
- 2-phenyl-4H-isoquinoline-1,3-quinone
- Molecular formula
- C15H11NO2
- Molecular weight
- 237.25334
Names & synonyms
2-phenylisoquinoline-1,3(2h,4h)-dione4494-54-6CHEMBL432044NSC 1233592-phenyl-1,3(2H,4H)-isoquinolinedioneNSC123359N-Phenyl-homophthalimideEnamine_001042Oprea1_534847Oprea1_5802362-phenyl-1,2,3,4-tetrahydroisoquinoline-1,3-dioneSCHEMBL1791394
Show more names
2-phenyl-4H-isoquinoline-1,3-dione2-phenyl-4H-isoquinoline-1,3-quinone
QIUJEIYANWQBLO-UHFFFAOYSA-DTXSID40298469QIUJEIYANWQBLO-UHFFFAOYSA-NHMS1396P08HMS2901I06BDBM50472125AKOS001038700EBC-145045
Database identifiers
- CAS
4494-54-6- PubChem CID
- 276114
- DTXSID
DTXSID40298469- ChEMBL
CHEMBL432044- Nikkaji
- J763.887F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Experimental & physicochemical properties
Solubility35.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
2 records
Compound notes
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