331452 <common-name>1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)isoquinoline</common-name> <description>1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)isoquinoline is a chemical compound with the formula C22H24N2. It has an average molecular weight of 316.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3021943</pubchem-id> <chemical-formula>C22H24N2</chemical-formula> <weight>316.4</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">2026-08-30T12:16:14Z</created-at> <updated-at type="dateTime">2026-08-30T12:16:14Z</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=CC=C1C2=NC(=CC3=CC=CC=C32)C4CCN(CC4)C</moldb-smiles> <moldb-formula>C22H24N2</moldb-formula> <moldb-inchi>InChI=1S/C22H24N2/c1-16-7-3-5-9-19(16)22-20-10-6-4-8-18(20)15-21(23-22)17-11-13-24(2)14-12-17/h3-10,15,17H,11-14H2,1-2H3</moldb-inchi> <moldb-inchikey>VPSKXTJBNQJVBO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">316.1939488</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM327345</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>1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)isoquinoline</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>Pyridines and derivatives</klass> <subklass>Phenylpyridines</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0054682</sync-id> <structure-inchikey>VPSKXTJBNQJVBO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000000010000000000000000000000000000100000008000002000001000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000200000000800000000100000000000020100000000000880400000100000000042000001800000000000004000000002000100000002080000000000000000000004000000040000080100000000000000000000008000000000002000000000040000000001000000000000000000000000002000000200000000000000000000000001000040000000000000000000000000000001800000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGwAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME BkAoAAAAAwQHQCgAAAADAwZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAYAYAAA AAMBBgBgAAAAAgIGAGAAAAACAgcAIAAAAAMGAGAAAAACAgYAYAAAAAICBgBg AAAAAQMLAAEAAQJoDAIDaAwDBGgMBAVoDAUGaAwGByAHCGgMCAloDAkKaAwK C2gMCwxoDAwNaAwNDmgMDg9oDA8QaAwJEQAREgASEwATFAAUFQAVFgAUFwAG AWgMEAdoDBALaAwWEQBCBAAAAAYBBgUEAwIGCAkKCxAHBgwNDg8QCwYSExQV FhEXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:57Z</structure-indexed-at> </compound>