313330 <common-name>Methyl 2,7,7-trimethyl-4-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate</common-name> <description>Methyl 2,7,7-trimethyl-4-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate is a chemical compound with the formula C18H22N2O3S. It has an average molecular weight of 346.40 g/mol.</description> <cas>853329-76-7</cas> <pubchem-id>24208997</pubchem-id> <chemical-formula>C18H22N2O3S</chemical-formula> <weight>346.4</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">2026-08-29T10:05:00Z</created-at> <updated-at type="dateTime">2026-08-29T10:05:00Z</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=CSC(=N1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C</moldb-smiles> <moldb-formula>C18H22N2O3S</moldb-formula> <moldb-inchi>InChI=1S/C18H22N2O3S/c1-9-8-24-16(19-9)15-13(17(22)23-5)10(2)20-11-6-18(3,4)7-12(21)14(11)15/h8,15,20H,6-7H2,1-5H3</moldb-inchi> <moldb-inchikey>SHPYMCDBMFKDCH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">346.1351137</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM309223</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>Methyl 2,7,7-trimethyl-4-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate</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>Azoles</klass> <subklass>Thiazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0264242</sync-id> <structure-inchikey>SHPYMCDBMFKDCH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4400000000000000000000000000c000000000000020000000000000002001000000000000000000000000000040000020000080000000000000000000004020000030000100000000000001000000000000010000000040000000000000002000020008000000000200000400100000000048000000000000200000000080011000000000000000000000000020000004000000000000000000080200000000000000000080000100000000000000000001002200000000000000001000000000000080002010000000000000000000000000200001000040000000000408000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@(������@(�������`�������(�������(�������`������� ������`�������(�������(�������`�������`�������h��������(�������(�������(�������(�������(�������`�������`�����������h���h���h���h���������(�� � � ������ (� �� ���� �� ��(��� ��(��� ��������h������ B����������� ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:20:04Z</structure-indexed-at> </compound>