Ethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate
Basic information
- CAS
63186-18-5- Standard SMILES
CCOC(=O)C(C)c1nc2ccccc2[nH]c1=O- InChIKey
CVOVFRILKMNGBC-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Overview
2-(3-oxo-4H-quinoxalin-2-yl)propanoic acid ethyl ester is a quinoxaline derivative.
Names & identifiers
- Preferred name
- Ethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate
- IUPAC
- ethyl 2-(3-oxo-4H-quinoxalin-2-yl)propanoate
- English name
- Ethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate
- Molecular formula
- C13H14N2O3
- Molecular weight
- 246.26
Names & synonyms
63186-18-5ethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoateDTXSID00344779RefChem:342419DTXCID60295854ethyl 2-(3-hydroxyquinoxalin-2-yl)propanoateethyl 2-(3-oxo-4H-quinoxalin-2-yl)propanoateMaybridge3_004489Oprea1_014617Oprea1_156355MLS000030370CHEMBL1557309
Show more names
ETHYL 2-(2(1H)-OXOQUINOXALIN-3-YL)PROPIONATEethyl 2-(2-hydroxyquinoxalin-3-yl)propanoate3,4-Dihydro-α-methyl-3-oxo-2-quinoxalineacetic acid ethyl ester2-Quinoxalineacetic acid, 3,4-dihydro-α-methyl-3-oxo-, ethyl ester
SCHEMBL30970803CHEBI:123349CVOVFRILKMNGBC-UHFFFAOYSA-NHMS1443M01HMS2475N08CCG-42715STL325000AKOS015955687
Database identifiers
- CAS
63186-18-5- PubChem CID
- 599428
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Melting point
- 160 · 160-162 °C
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 9.36 · 9.36±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 2-(3-oxo-4H-quinoxalin-2-yl)propanoic acid ethyl ester is a quinoxaline derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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