Chemical Component Summary

Name3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid
Identifiers3-[[3-aminocarbonyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino]benzoic acid
FormulaC23 H19 N5 O5
Molecular Weight445.427
TypeNON-POLYMER
Isomeric SMILESCOc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)C(=O)N
InChIInChI=1S/C23H19N5O5/c1-32-21-16(10-26-23(28-21)33-2)12-6-7-15-18(9-12)25-11-17(20(24)29)19(15)27-14-5-3-4-13(8-14)22(30)31/h3-11H,1-2H3,(H2,24,29)(H,25,27)(H,30,31)
InChIKeyHTIWSTZLJVBFSO-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count55
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 57336253