295716 <common-name>8-chloro-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-one</common-name> <description>8-chloro-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-one belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C15H14ClN3O and an average molecular weight of 287.74 g/mol.</description> <cas>84829-74-3</cas> <pubchem-id>3069504</pubchem-id> <chemical-formula>C15H14ClN3O</chemical-formula> <weight>287.74</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">2026-08-28T11:46:19Z</created-at> <updated-at type="dateTime">2026-08-28T11:46:19Z</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(N1C)Cl)NC(=O)CN=C2C3=CC=CC=C3</moldb-smiles> <moldb-formula>C15H14ClN3O</moldb-formula> <moldb-inchi>InChI=1S/C15H14ClN3O/c1-9-12-13(10-6-4-3-5-7-10)17-8-11(20)18-14(12)15(16)19(9)2/h3-7H,8H2,1-2H3,(H,18,20)</moldb-inchi> <moldb-inchikey>GXNQGPHPYBLHAL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">287.0825398</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>CHEM291609</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>8-chloro-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0247147</sync-id> <structure-inchikey>GXNQGPHPYBLHAL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000000000000000000000000000000400020000000000000002004000000000400000000000000000000000000000000480400000000001080000020000000000000000808008000000080000000000000000000000000004000000000020100000000000000000000000000000048000000800000200800004000800000000100000000000000000000000000000000000000000000080000000000000800000000000000000000000000000000110000000000000000000000000010000000002000001200020002000000000000000000000040000008000000000000000000000000000040000000</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�B�������������� �� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:07:08Z</structure-indexed-at> </compound>