322627 <common-name>N-[4-(3-oxo-2,4-dihydro-1h-isoquinolin-1-yl)phenyl]-2-(propylamino)acetamide</common-name> <description>N-[4-(3-oxo-2,4-dihydro-1h-isoquinolin-1-yl)phenyl]-2-(propylamino)acetamide is a chemical compound with the formula C20H23N3O2. It has an average molecular weight of 337.40 g/mol.</description> <cas>54087-38-6</cas> <pubchem-id>40985</pubchem-id> <chemical-formula>C20H23N3O2</chemical-formula> <weight>337.4</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">2026-08-29T22:52:38Z</created-at> <updated-at type="dateTime">2026-08-29T22:52:38Z</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>CCCNCC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3CC(=O)N2</moldb-smiles> <moldb-formula>C20H23N3O2</moldb-formula> <moldb-inchi>InChI=1S/C20H23N3O2/c1-2-11-21-13-19(25)22-16-9-7-14(8-10-16)20-17-6-4-3-5-15(17)12-18(24)23-20/h3-10,20-21H,2,11-13H2,1H3,(H,22,25)(H,23,24)</moldb-inchi> <moldb-inchikey>RFKFOPKQXURKAV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">337.179027</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</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>CHEM318520</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]-2-(propylamino)acetamide</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>CED0273329</sync-id> <structure-inchikey>RFKFOPKQXURKAV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10004000000000800000000000000000000000000100000000000000000000000002040020000000000000100000000000000000020000000080000000000000000000000000000080000000200020001000000020000000000000000000000020010200000010000000040000040000020100000000000000000800101000000040000400800000200000000080000000000100000000080000000001000000000080000000000000080008000000000080000000000000000000000000000008010000000000000000000000000000000008000000000200000000000010008000000000000040000000000400000000000800000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h��������`������@(������@h�������@h�������@h�������@h�������@(�������`�������(�������(�������h������������������������(��� �� � h� h� �h���h�� h���������h���h���h���h���h���������(��� �h������h�B������ �� ������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:27:06Z</structure-indexed-at> </compound>