Chemical Component Summary

Name5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid
Identifiers5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid
FormulaC20 H12 N4 O2
Molecular Weight340.335
TypeNON-POLYMER
Isomeric SMILESC#Cc1cccc(c1)Nc2c3c(cncn3)c4ccc(cc4n2)C(=O)O
InChIInChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)
InChIKeyHJGFPNFAFSFDNN-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count41
Aromatic Bond Count22

Related Resource References

Resource NameReference
Pharos CHEMBL1682283
PubChem 53326156
ChEMBL CHEMBL1682283