312674 <common-name>9-(3,4-dimethoxyphenyl)-3-methyl-1,3,4,8-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene</common-name> <description>9-(3,4-dimethoxyphenyl)-3-methyl-1,3,4,8-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene is a chemical compound with the formula C18H20N4O2. It has an average molecular weight of 324.40 g/mol.</description> <cas>156032-69-8</cas> <pubchem-id>3074301</pubchem-id> <chemical-formula>C18H20N4O2</chemical-formula> <weight>324.4</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">2026-08-29T09:17:09Z</created-at> <updated-at type="dateTime">2026-08-29T09:17:09Z</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>CN1C2=C(CNC(C3=CC=CN32)C4=CC(=C(C=C4)OC)OC)C=N1</moldb-smiles> <moldb-formula>C18H20N4O2</moldb-formula> <moldb-inchi>InChI=1S/C18H20N4O2/c1-21-18-13(11-20-21)10-19-17(14-5-4-8-22(14)18)12-6-7-15(23-2)16(9-12)24-3/h4-9,11,17,19H,10H2,1-3H3</moldb-inchi> <moldb-inchikey>ZESQOGUCUCVXBJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">324.1586259</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.6</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>CHEM308567</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>9-(3,4-dimethoxyphenyl)-3-methyl-1,3,4,8-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene</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>Benzene and substituted derivatives</klass> <subklass>Methoxybenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0263602</sync-id> <structure-inchikey>ZESQOGUCUCVXBJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000300000000000800000000000081000000100000400010040000000004000000000000002000000000000100000000000020000002000000000000080000000800000000000000000000000100000000000000000000000000000000000040000000100002000000020100000000000000000000100000000040000000800440200000004000000000000000000000080400000001000000000000000000000000080000000002000000000000000000041000200180000040000000000000000000000000000000000000000000000200000000000010000000000000000040000000000100000004000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>5106400109328220814043644129a008018014020505200420346040823009cc54222070128100000184410810c80000046042b6018c3a010006e47102a04000c711040812909e82009010841172020008c4059153011b3642040d624122990c0c68c5270848a20467409000dd94220130868470831bc00417992860021100021a6c20094ef9820808065250882c0008393c88524402378201200820a4c400bc15c3101090d2c00282000969c17c25140ac84002a941884018a042100c404250804000f604d00e3321802600147102802c010100024c50200d1002440a010300911048100a8904860000041311daa00008104230d442042e010010087a000c42</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGwAAAIABBgBgAAAAAQMHQCgAAAAD AwZAKAAAAAMEBkAoAAAAAwQGAGAAAAACAgcAYAAAAAIBBgBgAAAAAwEGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQdAKAAAAAMDBkAoAAAA AwQGQGgAAAADAwEGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB CAAoAAAAAwIGAGAAAAABAwgAKAAAAAMCBgBgAAAAAQMGQGgAAAADAwEHQCgA AAADAwsAAQABAmgMAgNoDAMEAAQFAAUGAAYHAAcIaAwICWgMCQpoDAoLaAwG DAAMDWgMDQ5oDA4PaAwPEGgMEBFoDA8SIBITAA4UIBQVAAMWaAwWF2gMFwFo DAsCIAsHaAwRDGgMQgQAAAAFAQIDFhcHBAMCCwcGBQUIBwsKCQYNDg8QEQwX BAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:36Z</structure-indexed-at> </compound>