Chemical Component Summary

Name2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one
Identifiers2-[3-[[3,5-bis(bromanyl)-2-ethoxy-phenyl]methylamino]propylamino]-1H-quinolin-4-one
FormulaC21 H23 Br2 N3 O2
Molecular Weight509.234
TypeNON-POLYMER
Isomeric SMILESCCOc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2
InChIInChI=1S/C21H23Br2N3O2/c1-2-28-21-14(10-15(22)11-17(21)23)13-24-8-5-9-25-20-12-19(27)16-6-3-4-7-18(16)26-20/h3-4,6-7,10-12,24H,2,5,8-9,13H2,1H3,(H2,25,26,27)
InChIKeyIAGLKMDFSLVFID-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count53
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 18353700
ChEMBL CHEMBL160506