331099 <common-name>4,11-diamino-1-imino-2-(3-propoxypropyl)naphtho[2,3-f]isoindole-3,5,10-trione</common-name> <description>4,11-diamino-1-imino-2-(3-propoxypropyl)naphtho[2,3-f]isoindole-3,5,10-trione is a chemical compound with the formula C22H22N4O4. It has an average molecular weight of 406.40 g/mol.</description> <cas>62335-65-3</cas> <pubchem-id>112834</pubchem-id> <chemical-formula>C22H22N4O4</chemical-formula> <weight>406.4</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">2026-08-30T11:49:44Z</created-at> <updated-at type="dateTime">2026-08-30T11:49:44Z</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>CCCOCCCN1C(=N)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N</moldb-smiles> <moldb-formula>C22H22N4O4</moldb-formula> <moldb-inchi>InChI=1S/C22H22N4O4/c1-2-9-30-10-5-8-26-21(25)15-16(22(26)29)18(24)14-13(17(15)23)19(27)11-6-3-4-7-12(11)20(14)28/h3-4,6-7,25H,2,5,8-10,23-24H2,1H3</moldb-inchi> <moldb-inchikey>MRKCCNIBTBDTBE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">406.1641052</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</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>CHEM326992</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>4,11-diamino-1-imino-2-(3-propoxypropyl)naphtho[2,3-f]isoindole-3,5,10-trione</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>Benzenoids</superklass> <klass>Anthracenes</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0281639</sync-id> <structure-inchikey>MRKCCNIBTBDTBE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100400000400000000008000000000000000000000000000000000000000000000001000020000200000000000008000000000000000000000000000000000800004000000000000000000820001000000200000000011000000000000000000000000a0200000000000000002000000000004000100000000000000000100000000000040000004800000000000004000001000000100000000000000000000000000000004001000040000080000000000000000004000000000000000000000000000040000000000080000000000000000500000800000000200000000000000000000000000000040000000010000000000000000008080000000000000</structure-fingerprint> <structure-pattern-fingerprint>f01644208d12866081585b66c128b0001000140291872014803f60408224496e4d22201013a000000148410880c0000005600266408d360130aee539c2a1c110c7110c8c1694540000901060127223004a0485f151615e33420405624022d9844c68052f104c3220604a8481ddb40048208680728901fd0451382c70a2510916104c00094ef88608080603d0c82c0208b91d8a9244021e3b50200c2060c000a401f3101081b2d22203024968817c75140ec00002a94108481aa06a100cc00212a00000a404d00237198084e2d71902d00c076010030450208d40221e2a000312913c69700989433011008411d156a0a20c500630d0c6052f1108100872000e02</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���h���(��� ��h�� h���h���h�B������� ����� �� ������ �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:30Z</structure-indexed-at> </compound>