476483-53-1
2-AMINO-4-(4-FLUOROPHENYL)-5-OXO-7-PHENYL-1-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
Name2-AMINO-4-(4-FLUOROPHENYL)-5-OXO-7-PHENYL-1-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
1Identification
【Name】
2-AMINO-4-(4-FLUOROPHENYL)-5-OXO-7-PHENYL-1-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
【CAS】
【MDL】
MFCD03071492
【English Synonyms】
【Formula】
C27 H21 F N4 O
【MolWeight】
436.488
【Inchi】
InChI=1S/C27H21FN4O/c28-20-10-8-18(9-11-20)25-22(15-29)27(30)32(21-7-4-12-31-16-21)23-13-19(14-24(33)26(23)25)17-5-2-1-3-6-17/h1-12,16,19,25H,13-14,30H2
【InChIKey】
InChIKey=KHCTWTCIQOPWJD-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2CC3=C(C(C(=C(N3c4cccnc4)N)C#N)c5ccc(cc5)F)C(=O)C2
【MOL File】
2-AMINO-4-(4-FLUOROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-4-(4-FLUOROPHENYL)-5-OXO-7-PHENYL-1-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE.cml