58721-74-7
1,2,3,8-TETRAHYDRO-1,2,3,3,8-PENTAMETHYL-5-(TRIFLUOROMETHYL)-7H-PYRROLO[3,2-G]QUINOLIN-7-ONE
Name1,2,3,8-TETRAHYDRO-1,2,3,3,8-PENTAMETHYL-5-(TRIFLUOROMETHYL)-7H-PYRROLO[3,2-G]QUINOLIN-7-ONE
1Identification
【Name】
1,2,3,8-TETRAHYDRO-1,2,3,3,8-PENTAMETHYL-5-(TRIFLUOROMETHYL)-7H-PYRROLO[3,2-G]QUINOLIN-7-ONE
【CAS】
【MDL】
MFCD00467063
【English Synonyms】
【Formula】
C17 H19 F3 N2 O
【MolWeight】
324.344
【Inchi】
InChI=1S/C17H19F3N2O/c1-9-16(2,3)12-6-10-11(17(18,19)20)7-15(23)22(5)13(10)8-14(12)21(9)4/h6-9H,1-5H3
【InChIKey】
InChIKey=IOUKYANHUBKAIN-UHFFFAOYSA-N
【SMILES】
CC1C(c2cc3c(cc(=O)n(c3cc2N1C)C)C(F)(F)F)(C)C
【MOL File】
1,2,3,8-TETRAHYDRO-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3,8-TETRAHYDRO-1,2,3,3,8-PENTAMETHYL-5-(TRIFLUOROMETHYL)-7H-PYRROLO[3,2-G]QUINOLIN-7-ONE.cml