310872 <common-name>Methyl 2-[3-(4-methylphenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate</common-name> <description>Methyl 2-[3-(4-methylphenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate is a chemical compound with the formula C18H15NO4. It has an average molecular weight of 309.30 g/mol.</description> <cas>78587-64-1</cas> <pubchem-id>54228</pubchem-id> <chemical-formula>C18H15NO4</chemical-formula> <weight>309.3</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-29T06:34:43Z</created-at> <updated-at type="dateTime">2026-08-29T06:34:43Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)CC(=O)OC)OC2=O</moldb-smiles> <moldb-formula>C18H15NO4</moldb-formula> <moldb-inchi>InChI=1S/C18H15NO4/c1-11-3-6-13(7-4-11)17-18(21)23-15-8-5-12(9-14(15)19-17)10-16(20)22-2/h3-9H,10H2,1-2H3</moldb-inchi> <moldb-inchikey>XRNMFZFFAQJGKU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">309.100108</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM306765</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Methyl 2-[3-(4-methylphenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzoxazines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0261840</sync-id> <structure-inchikey>XRNMFZFFAQJGKU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000010000000001000000000000000004220140000000000002000000000000000000000010000000000000000000000000000000000000000000020800000000100000000020000000000000000110000000040000000100000800000000000000000000000000100000000000040000000004000000000080080800000000000000000000000000000000000000000000000000000082000000000000000000008000000000000000400000000000000020800000000000000000000000000002020800220000000000000a00300000001000040000000000480000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGQAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BkAoAAAAAwQHQCgAAAADAwZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgA AAADAwEGQCgAAAADBAZAaAAAAAMDAQYAYAAAAAICBgAoAAAAAwQIACgAAAAD AggAKAAAAAMCBgBgAAAAAQMIQCgAAAADAgZAKAAAAAMECAAoAAAAAwILAAEA AQJoDAIDaAwDBGgMBAVoDAUGaAwEByAHCGgMCAloDAkKaAwKC2gMCwxoDAwN aAwNDmgMDQ8ADxAAEBEoAhASIBITAAoUaAwUFWgMFRYoAgYBaAwVB2gMDglo DEIDAAAABgEGBQQDAgYICQoUFQcGCwwNDgkKFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:18:09Z</structure-indexed-at> </compound>