Basic information
- CAS
5365-68-4- Standard SMILES
O=C1CN(C(=O)c2ccc(F)cc2)c2ccccc2N1- InChIKey
XEGMTCOBZCGDAT-UHFFFAOYSA-N- Molecular formula
- C15H11FN2O2
- Average molar mass
- 270.26 g/mol
- Monoisotopic mass
- 270.08045576
Names & identifiers
- Preferred name
- ST50453059
- IUPAC
- 4-(4-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
Names & synonyms
5365-68-4ST50453059DTXSID50351130RefChem:381619DTXCID003021974-(4-fluorobenzoyl)-3,4-dihydro-2(1H)-quinoxalinone4-(4-fluorobenzoyl)-1,3-dihydroquinoxalin-2-oneCBMicro_006687Oprea1_298250Oprea1_651966MLS001167929CHEMBL1883863
Show more names
HMS2961I14SMSF0005734AKOS001210783CB08986SMR000641139BIM-0006444.P001SR-01000207201SR-01000207201-1
Database identifiers
- CAS
5365-68-4- PubChem CID
- 692014
- DTXSID
DTXSID50351130- ChEMBL
CHEMBL1883863
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
Solubility>40.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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