Methyl-2-(6-methoxy-3-oxo-3,4-dihydro-quinoxalin-2-yl)acetate

HCID 258145

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Basic information

CAS: 500294-24-6
Standard SMILES: COC(=O)Cc1nc2ccc(OC)cc2[nH]c1=O
InChIKey: AQXPZYHEYLZGAG-UHFFFAOYSA-N
Molecular formula: C12H12N2O4
Average molar mass: 248.23 g/mol
Monoisotopic mass: 248.07970687

Names & identifiers

Preferred name: Methyl-2-(6-methoxy-3-oxo-3,4-dihydro-quinoxalin-2-yl)acetate
IUPAC: methyl 2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)acetate

Names & synonyms

NSC86895CHEMBL452905DTXSID201207295Methyl-2-(6-methoxy-3-oxo-3,4-dihydro-quinoxalin-2-yl)acetateNSC-86895500294-24-6Methyl 3,4-dihydro-6-methoxy-3-oxo-2-quinoxalineacetateMethyl (6-methoxy-3-oxo-3,4-dihydroquinoxalin-2-yl)acetate

Database identifiers

CAS: 500294-24-6
PubChem CID: 258145
DTXSID: DTXSID201207295
ChEMBL: CHEMBL452905

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 77 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 380

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