291877 <common-name>4a-(hydroxymethyl)-8-methoxy-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one</common-name> <description>4a-(hydroxymethyl)-8-methoxy-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one belongs to the tetralins, a class of benzenoids within the organic compounds. This compound has the formula C14H16N2O3 and an average molecular weight of 260.29 g/mol.</description> <cas>126703-15-9</cas> <pubchem-id>3079920</pubchem-id> <chemical-formula>C14H16N2O3</chemical-formula> <weight>260.29</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">2026-08-28T07:05:03Z</created-at> <updated-at type="dateTime">2026-08-28T07:05:03Z</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>COC1=CC2=C(C=C1)C3=NNC(=O)CC3(CC2)CO</moldb-smiles> <moldb-formula>C14H16N2O3</moldb-formula> <moldb-inchi>InChI=1S/C14H16N2O3/c1-19-10-2-3-11-9(6-10)4-5-14(8-17)7-12(18)15-16-13(11)14/h2-3,6,17H,4-5,7-8H2,1H3,(H,15,18)</moldb-inchi> <moldb-inchikey>JGHBQUBXLVAUMF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">260.1160924</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.5</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>CHEM287770</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>4a-(hydroxymethyl)-8-methoxy-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one</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>Benzenoids</superklass> <klass>Tetralins</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0243447</sync-id> <structure-inchikey>JGHBQUBXLVAUMF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000800000000000000000000000002000000002000000080000000000000020200000009000002000000000000000000000000000000000000000000000000000000000000000000020008000800100000202800001000000040000010000000040000000100000010000020008000000000000000000008000000048000000000000200000000000200000000000000000080010400000000000000000000000000000080000000400000000000000080000000000000080000000010000000000000000000010000000000000000000200200000000000200000000000000000040000000000000000000000008800000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFQAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQYAKAAAAAMEBwAoAAAAAwMHAGgAAAADAgEGACgAAAADBAgAKAAA AAMCBgBgAAAAAgIGACAAAAAEBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICCABg AAAAAQELAAEAAQIgAgNoDAMEaAwEBWgMBQZoDAYHaAwFCCAICSgCCQogCgsg CwwoAgsNAA0OAA4PAA8QAA4RABESAAcCaAwQBAAOCABCAwAAAAYCBwYFBAMG CQoLDQ4IBg8QBAUIDhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:04:09Z</structure-indexed-at> </compound>