1-(Quinolin-8-yl)-1h-pyrrole-2,5-dione
Basic information
- CAS
7251-67-4- Standard SMILES
O=C1C=CC(=O)N1c1cccc2cccnc12- InChIKey
AIQCTPYFNCJPPC-UHFFFAOYSA-N- Molecular formula
- C13H8N2O2
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.0585775
Names & identifiers
- Preferred name
- 1-(Quinolin-8-yl)-1h-pyrrole-2,5-dione
- IUPAC
- 1-quinolin-8-ylpyrrole-2,5-dione
- English name
- 1-quinolin-8-ylpyrrole-2,5-dione
- Molecular formula
- C13H8N2O2
- Molecular weight
- 224.21
Names & synonyms
7251-67-4MLS0026087921-(quinolin-8-yl)-1h-pyrrole-2,5-dioneNSC47073CHEMBL1895248DTXSID80286709HMS3078N23NSC-47073AKOS000248166SMR0015275351-quinolin-8-ylpyrrole-2,5-dione1H-Pyrrole-2,5-dione, 1-(8-quinolinyl)-
Database identifiers
- CAS
7251-67-4- PubChem CID
- 240646
- DTXSID
DTXSID80286709- ChEMBL
CHEMBL1895248
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 420 · 420.0±18.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- pka
- 2.91 · 2.91±0.17(Predicted)
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Compound notes
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