187398-75-0
2-AMINO-4-(4-METHOXY-PH)5-OXO-1-PH-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
Name2-AMINO-4-(4-METHOXY-PH)5-OXO-1-PH-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
1Identification
【Name】
2-AMINO-4-(4-METHOXY-PH)5-OXO-1-PH-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
【CAS】
【MDL】
MFCD00828368
【English Synonyms】
【Formula】
C23 H21 N3 O2
【MolWeight】
371.438
【Inchi】
InChI=1S/C23H21N3O2/c1-28-17-12-10-15(11-13-17)21-18(14-24)23(25)26(16-6-3-2-4-7-16)19-8-5-9-20(27)22(19)21/h2-4,6-7,10-13,21H,5,8-9,25H2,1H3
【InChIKey】
InChIKey=KDDPRAAYXCPUTO-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)C2C(=C(N(C3=C2C(=O)CCC3)c4ccccc4)N)C#N
【MOL File】
2-AMINO-4-(4-METHOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-4-(4-METHOXY-PH)5-OXO-1-PH-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE.cml