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A1CB2

Summary
Name:(3M)-3-(3-ethylisoquinolin-4-yl)-6-(trifluoromethyl)quinazoline-2,4(1H,3H)-dione
Formula:C20 H14 F3 N3 O2
Formal charge:0
Formula weight:385.339 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3M)-3-(3-ethylisoquinolin-4-yl)-6-(trifluoromethyl)quinazoline-2,4(1H,3H)-dione
OpenEye OEToolkits3.1.0.03-(3-ethylisoquinolin-4-yl)-6-(trifluoromethyl)-1~{H}-quinazoline-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52FC(F)(F)c1ccc2NC(=O)N(C(=O)c2c1)c1c2ccccc2cnc1CC
InChIInChI1.06InChI=1S/C20H14F3N3O2/c1-2-15-17(13-6-4-3-5-11(13)10-24-15)26-18(27)14-9-12(20(21,22)23)7-8-16(14)25-19(26)28/h3-10H,2H2,1H3,(H,25,28)
InChIKeyInChI1.06YLLKAKJFWXFSFI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1ncc2ccccc2c1N3C(=O)Nc4ccc(cc4C3=O)C(F)(F)F
SMILESCACTVS3.385CCc1ncc2ccccc2c1N3C(=O)Nc4ccc(cc4C3=O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCc1c(c2ccccc2cn1)N3C(=O)c4cc(ccc4NC3=O)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0CCc1c(c2ccccc2cn1)N3C(=O)c4cc(ccc4NC3=O)C(F)(F)F

251801

PDB entries from 2026-04-08

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