2172870-89-0

Name Benzonitrile, 3-[4-(4-amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxy-
CAS 2172870-89-0
Molecular Formula C27H22F2N4O
MDL Number MFCD34470008
Molecular Weight 456.49
MOL File 2172870-89-0.mol
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Chemical Properties

Boiling point  640.4±55.0 °C(Predicted)
density  1.41±0.1 g/cm3(Predicted)
solubility  DMSO: Slightly soluble: 0.1-1 mg/ml
form  Solid
pka 5.89±0.35(Predicted)
color  White to yellow
InChI InChI=1S/C27H22F2N4O/c28-19-10-18(11-20(29)13-19)24-15-32-25-5-4-16(22-3-1-2-17(14-30)27(22)34)12-23(25)26(24)33-8-6-21(31)7-9-33/h1-5,10-13,15,21,34H,6-9,31H2
InChIKey GHILNKWBALQPDP-UHFFFAOYSA-N
SMILES C(#N)C1=CC=CC(C2=CC=C3C(=C2)C(N2CCC(N)CC2)=C(C2=CC(F)=CC(F)=C2)C=N3)=C1O

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