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GWB

Summary
Name:4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE
Formula:C17 H16 F N O2
Formal charge:0
Formula weight:285.313 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[(cyclopropylethynyl)oxy]-6-fluoro-3-(1-methylethyl)quinolin-2(1H)-one
OpenEye OEToolkits1.5.04-(2-cyclopropylethynoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc3ccc2c(C(OC#CC1CC1)=C(C(=O)N2)C(C)C)c3
SMILES_CANONICALCACTVS3.341CC(C)C1=C(OC#CC2CC2)c3cc(F)ccc3NC1=O
SMILESCACTVS3.341CC(C)C1=C(OC#CC2CC2)c3cc(F)ccc3NC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)C1=C(c2cc(ccc2NC1=O)F)OC#CC3CC3
SMILESOpenEye OEToolkits1.5.0CC(C)C1=C(c2cc(ccc2NC1=O)F)OC#CC3CC3
InChIInChI1.03InChI=1S/C17H16FNO2/c1-10(2)15-16(21-8-7-11-3-4-11)13-9-12(18)5-6-14(13)19-17(15)20/h5-6,9-11H,3-4H2,1-2H3,(H,19,20)
InChIKeyInChI1.03YVJFHKQYMKKIHK-UHFFFAOYSA-N

223532

数据于2024-08-07公开中

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