321121 <common-name>N-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6h-pyrrolo[3,4-g]quinolin-5-yl]-n-methylmethanesulfonamide</common-name> <description>N-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6h-pyrrolo[3,4-g]quinolin-5-yl]-n-methylmethanesulfonamide is a compound with the formula C20H18FN3O4S. It has an average molecular weight of 415.40 g/mol.</description> <cas>915407-80-6</cas> <pubchem-id>16097721</pubchem-id> <chemical-formula>C20H18FN3O4S</chemical-formula> <weight>415.4</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">2026-08-29T20:23:22Z</created-at> <updated-at type="dateTime">2026-08-29T20:23:22Z</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>CN(C1=C2CN(C(=O)C2=C(C3=C1C=CC=N3)O)CC4=CC=C(C=C4)F)S(=O)(=O)C</moldb-smiles> <moldb-formula>C20H18FN3O4S</moldb-formula> <moldb-inchi>InChI=1S/C20H18FN3O4S/c1-23(29(2,27)28)18-14-4-3-9-22-17(14)19(25)16-15(18)11-24(20(16)26)10-12-5-7-13(21)8-6-12/h3-9,25H,10-11H2,1-2H3</moldb-inchi> <moldb-inchikey>RJWBOLLTMJMYNV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">415.1002054</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</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>CHEM317014</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>N-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6h-pyrrolo[3,4-g]quinolin-5-yl]-n-methylmethanesulfonamide</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>Quinolines and derivatives</klass> <subklass>Pyrroloquinolines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0271844</sync-id> <structure-inchikey>RJWBOLLTMJMYNV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000c02000000000000000000000000000200010000010000000000000000220000000020040022002000500000000008000000000000000000000000000000000000000000000000024000000000810000000000000000100001000010000000000000000014000000000020100000000000000000000000000100040000000c00000000010000000100000000000000000000000000000000000000001000000040000080000002000000000080000080000000000000000000000040000002000000000000000020010000000000800001220040000000000200000000000002040000000000004801020000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAIAAAAIABBgBgAAAAAQMHACgAAAAD AwZAKAAAAAMEBkAoAAAAAwQGAGAAAAACAgcAKAAAAAMDBgAoAAAAAwQIACgA AAADAgZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBBkBoAAAAAwMBB0AoAAAAAwMIAGgAAAADAQEGAGAAAAACAgZA KAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgA AAADAwEJACAAAAABEAAgAAAABggAKAAAAAMCCAAoAAAAAwIGAGAAAAABAwsA AQABAiACA2gMAwQABAUABQYgBgcoAgYIIAgJaAwJCmgMCgtoDAsMaAwMDWgM DQ5oDA4PaAwJECAFEQAREgASE2gMExRoDBQVaAwVFmgMFhdoDBUYAAEZABka CAIZGwgCGRwACwJoDAgDaAwPCmgMFxJoDEIEAAAABgILCgkIAwUEAwgGBQYM DQ4PCgsGExQVFhcSFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:03Z</structure-indexed-at> </compound>