406183-37-7
N-(3-FLUOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
NameN-(3-FLUOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
pro_formulaC24 H24 F N3 O2
1Identification
【Name】
N-(3-FLUOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
【CAS】
【MDL】
MFCD02320066
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H24 F N3 O2
【pro_molWeight】
405.471
【Inchi】
InChI=1S/C24H24FN3O2/c1-14-20(23(30)28-17-8-4-7-16(25)10-17)21(15-6-5-9-26-13-15)22-18(27-14)11-24(2,3)12-19(22)29/h4-10,13,21,27H,11-12H2,1-3H3,(H,28,30)
【InChIKey】
InChIKey=PGIJCAXZAWGWNC-UHFFFAOYSA-N
【SMILES】
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)c3cccnc3)C(=O)Nc4cccc(c4)F
【MOL File】
N-(3-FLUOROPHENYL)-2….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(3-FLUOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE.cml