81023-04-3
1-(1,3-DIHYDRO-5,6-DIMETHOXY-3-OXOISOBENZOFURAN-1-YL)CINNOLIN-4(1H)-ONE
Name1-(1,3-DIHYDRO-5,6-DIMETHOXY-3-OXOISOBENZOFURAN-1-YL)CINNOLIN-4(1H)-ONE
1Identification
【Name】
1-(1,3-DIHYDRO-5,6-DIMETHOXY-3-OXOISOBENZOFURAN-1-YL)CINNOLIN-4(1H)-ONE
【CAS】
【MDL】
MFCD01736909
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H14 N2 O5
【pro_molWeight】
338.318
【Inchi】
InChI=1S/C18H14N2O5/c1-23-15-7-11-12(8-16(15)24-2)18(22)25-17(11)20-13-6-4-3-5-10(13)14(21)9-19-20/h3-9,17H,1-2H3
【InChIKey】
InChIKey=YFZMMEREHSMKTO-UHFFFAOYSA-N
【SMILES】
COc1cc2c(cc1OC)C(=O)OC2n3c4ccccc4c(=O)cn3
【MOL File】
1-(1,3-DIHYDRO-5,6-D….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(1,3-DIHYDRO-5,6-DIMETHOXY-3-OXOISOBENZOFURAN-1-YL)CINNOLIN-4(1H)-ONE.cml