Basic information
- CAS
769945-56-4- Standard SMILES
CC(=O)C(C(C)=O)C(c1ccccc1)c1nc2ccccc2[nH]c1=O- InChIKey
CZZPUROAXANYBJ-UHFFFAOYSA-N- Molecular formula
- C20H18N2O3
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.13174244
Names & identifiers
- Preferred name
- 3-[(3-oxo-4H-quinoxalin-2-yl)-phenylmethyl]pentane-2,4-dione
- IUPAC
- 3-[(3-oxo-4H-quinoxalin-2-yl)-phenylmethyl]pentane-2,4-dione
Names & synonyms
3-((3-oxo-3,4-dihydroquinoxalin-2-yl)(phenyl)methyl)pentane-2,4-dione3-[(3-Oxo-3,4-dihydroquinoxalin-2-yl)(phenyl)methyl]pentane-2,4-dione3-[(3-oxo-4H-quinoxalin-2-yl)-phenylmethyl]pentane-2,4-dione769945-56-4MLS001215145CHEMBL1445823SCHEMBL17817582DTXSID201320540HMS2871N15STK590290AKOS005512739AKOS032391751
Show more names
SMR0005431763-[(3-hydroxyquinoxalin-2-yl)(phenyl)methyl]pentane-2,4-dione
Database identifiers
- CAS
769945-56-4- PubChem CID
- 4544232
- DTXSID
DTXSID201320540- ChEMBL
CHEMBL1445823
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 563
Experimental & physicochemical properties
Solubility0.9 [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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