848655-77-6
N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-3-CYANO-7-ETHOXYQUINOLIN-6-YL)ACETAMIDE
NameN-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-3-CYANO-7-ETHOXYQUINOLIN-6-YL)ACETAMIDE
FormulaC20 H16 Cl F N4 O2
1Identification
【Name】
N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-3-CYANO-7-ETHOXYQUINOLIN-6-YL)ACETAMIDE
【CAS】
【MDL】
MFCD13180639
【English Synonyms】
【Formula】
C20 H16 Cl F N4 O2
【MolWeight】
398.823
【Inchi】
InChI=1S/C20H16ClFN4O2/c1-3-28-19-8-17-14(7-18(19)25-11(2)27)20(12(9-23)10-24-17)26-13-4-5-16(22)15(21)6-13/h4-8,10H,3H2,1-2H3,(H,24,26)(H,25,27)
【InChIKey】
InChIKey=FUUGSWZVLCMSJE-UHFFFAOYSA-N
【SMILES】
CCOc1cc2c(cc1NC(=O)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
【MOL File】
N-(4-((3-CHLORO-4-FL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-3-CYANO-7-ETHOXYQUINOLIN-6-YL)ACETAMIDE.cml