326971 <common-name>5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]-2h-isoquinolin-1-one</common-name> <description>5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]-2h-isoquinolin-1-one is a compound with the formula C21H23N3O. It has an average molecular weight of 333.40 g/mol.</description> <cas>1454898-72-6</cas> <pubchem-id>71737385</pubchem-id> <chemical-formula>C21H23N3O</chemical-formula> <weight>333.4</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">2026-08-30T05:39:20Z</created-at> <updated-at type="dateTime">2026-08-30T05:39:20Z</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=C2C=C(NC(=O)C2=CC=C1)C3=CC=C(C=C3)CN4CCNCC4</moldb-smiles> <moldb-formula>C21H23N3O</moldb-formula> <moldb-inchi>InChI=1S/C21H23N3O/c1-15-3-2-4-18-19(15)13-20(23-21(18)25)17-7-5-16(6-8-17)14-24-11-9-22-10-12-24/h2-8,13,22H,9-12,14H2,1H3,(H,23,25)</moldb-inchi> <moldb-inchikey>ZZCWXOKQTXSKMI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">333.1841124</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM322864</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>5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]-2h-isoquinolin-1-one</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" nil="true"/> <sync-id>CED0277584</sync-id> <structure-inchikey>ZZCWXOKQTXSKMI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8800000000000000000000000000000000000000000000000000000004220000000000000000000000000000000000000000000000000000000040000000000000000000000000020000000000000000000000002000000008000000000000000000000100000800000220100000000000000000000000001000440000000800000200000000000800000000000000200000000000000000000080008000000040000080100000000000000000000008000000008000000000000040000000000000000010000000010100000002000004220041000010000000000000000000040000000000000200000000000000001000008200000</structure-fingerprint> <structure-pattern-fingerprint>501080100112865081080b40012820000280140001052000003720428204080c5c220050128000000008490802c0000004600227c08d36010026e43000a1c010c6110c001280440010901000017a02000c05059057011b3240041422402048001c2805270048020040040401d5140208200680700109c8441198280002510212124000084ef0820808061250882c0009b91d88924480168b1023082020c0008008c310108090c00002000960017c25100ac00400894108481080621008c00210803000a404800a3301808400141102c00c030000024050000d010280080003001010411008810004000004115113200000100030a446040e0000100050000202</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@h�������@(������@8�������@(�������(������@(������@h�������@h�������@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">2026-09-19T05:30:28Z</structure-indexed-at> </compound>