421567-29-5
4-[4-(DIMETHYLAMINO)PHENYL]-N-(3-FLUOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
Name4-[4-(DIMETHYLAMINO)PHENYL]-N-(3-FLUOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
pro_formulaC27 H30 F N3 O2
1Identification
【Name】
4-[4-(DIMETHYLAMINO)PHENYL]-N-(3-FLUOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE
【CAS】
【MDL】
MFCD03081412
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H30 F N3 O2
【pro_molWeight】
447.551
【Inchi】
InChI=1S/C27H30FN3O2/c1-16-23(26(33)30-19-8-6-7-18(28)13-19)24(17-9-11-20(12-10-17)31(4)5)25-21(29-16)14-27(2,3)15-22(25)32/h6-13,24,29H,14-15H2,1-5H3,(H,30,33)
【InChIKey】
InChIKey=IIROCNQGLPEUAO-UHFFFAOYSA-N
【SMILES】
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)c3ccc(cc3)N(C)C)C(=O)Nc4cccc(c4)F
【MOL File】
4-[4-(DIMETHYLAMINO)….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-[4-(DIMETHYLAMINO)PHENYL]-N-(3-FLUOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE.cml