336220 <common-name>N-[4-(3-oxo-2,4-dihydro-1h-isoquinolin-1-yl)phenyl]-4-pyrrolidin-1-ylbutanamide</common-name> <description>N-[4-(3-oxo-2,4-dihydro-1h-isoquinolin-1-yl)phenyl]-4-pyrrolidin-1-ylbutanamide is a chemical compound with the formula C23H27N3O2. It has an average molecular weight of 377.50 g/mol.</description> <cas>54087-64-8</cas> <pubchem-id>3041437</pubchem-id> <chemical-formula>C23H27N3O2</chemical-formula> <weight>377.5</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">2026-08-30T18:36:09Z</created-at> <updated-at type="dateTime">2026-08-30T18:36:09Z</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>C1CCN(C1)CCCC(=O)NC2=CC=C(C=C2)C3C4=CC=CC=C4CC(=O)N3</moldb-smiles> <moldb-formula>C23H27N3O2</moldb-formula> <moldb-inchi>InChI=1S/C23H27N3O2/c27-21(8-5-15-26-13-3-4-14-26)24-19-11-9-17(10-12-19)23-20-7-2-1-6-18(20)16-22(28)25-23/h1-2,6-7,9-12,23H,3-5,8,13-16H2,(H,24,27)(H,25,28)</moldb-inchi> <moldb-inchikey>XAOKDTXQXNZCQV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">377.2103271</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM332113</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-[4-(3-oxo-2,4-dihydro-1h-isoquinolin-1-yl)phenyl]-4-pyrrolidin-1-ylbutanamide</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>Tetrahydroisoquinolines</klass> <subklass>1-phenyltetrahydroisoquinolines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0286682</sync-id> <structure-inchikey>XAOKDTXQXNZCQV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100040000000008000000000000000000000000001000000000000000000000000000400200000000000001000000000000000000200000000800000000000000000000000000000800000000000240000000000000000000000000000000000000100000000100000000400000400000201000000000000000000001018000000000004008000002000000040800000000001000000000800000000010000000000000000000000000a000800000200000000000000a000000000000000000008010000000000000000000000000000000008020000000200000000010010008000000000000040000000010400000000000800000002000000000004</structure-fingerprint> 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