335129 <common-name>2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4h-quinoline-3-carbonitrile</common-name> <description>2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4h-quinoline-3-carbonitrile is a chemical compound with the formula C23H21N5O3. It has an average molecular weight of 415.40 g/mol.</description> <cas>311323-40-7</cas> <pubchem-id>4272975</pubchem-id> <chemical-formula>C23H21N5O3</chemical-formula> <weight>415.4</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">2026-08-30T17:09:09Z</created-at> <updated-at type="dateTime">2026-08-30T17:09:09Z</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>CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CN=CC=C4)C(=O)C1)C</moldb-smiles> <moldb-formula>C23H21N5O3</moldb-formula> <moldb-inchi>InChI=1S/C23H21N5O3/c1-23(2)10-18-21(19(29)11-23)20(14-4-3-9-26-13-14)17(12-24)22(25)27(18)15-5-7-16(8-6-15)28(30)31/h3-9,13,20H,10-11,25H2,1-2H3</moldb-inchi> <moldb-inchikey>XNGMUZCVRITRBZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">415.1644396</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM331022</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>2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4h-quinoline-3-carbonitrile</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>Quinolines and derivatives</klass> <subklass>Phenylquinolines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0285604</sync-id> <structure-inchikey>XNGMUZCVRITRBZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000004000000000000004000084100000000000000000020000000040000002001000000000004000000000000000000000000000000000000000100000000000020000020400000001000000005400040000200000000000200000000000000000000020108000000000000000000100000100048000080800000000000800000001080001000000000000000000021000004000000000000000000088000000000040000004000000100000000000100000000000220001000000000200001000002000000000000000200000000000000420040000000002040000200000000000000001000000000000000000000</structure-fingerprint> 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