841281-47-8
1,3,5-TRIAZINE-2-CARBONITRILE, 4-(3,4-DIHYDRO-1(2H)-QUINOLINYL)-6-[(2-METHOXYPHENYL)AMINO]-
Name1,3,5-TRIAZINE-2-CARBONITRILE, 4-(3,4-DIHYDRO-1(2H)-QUINOLINYL)-6-[(2-METHOXYPHENYL)AMINO]-
1Identification
【Name】
1,3,5-TRIAZINE-2-CARBONITRILE, 4-(3,4-DIHYDRO-1(2H)-QUINOLINYL)-6-[(2-METHOXYPHENYL)AMINO]-
【CAS】
【MDL】
MFCD09839570
【English Synonyms】
【Formula】
C20 H18 N6 O
【MolWeight】
358.403
【Inchi】
InChI=1S/C20H18N6O/c1-27-17-11-5-3-9-15(17)22-19-23-18(13-21)24-20(25-19)26-12-6-8-14-7-2-4-10-16(14)26/h2-5,7,9-11H,6,8,12H2,1H3,(H,22,23,24,25)
【InChIKey】
InChIKey=BVJCBFDVXQWJAY-UHFFFAOYSA-N
【SMILES】
COc1ccccc1Nc2nc(nc(n2)N3CCCc4c3cccc4)C#N
【MOL File】
1,3,5-TRIAZINE-2-CAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3,5-TRIAZINE-2-CARBONITRILE, 4-(3,4-DIHYDRO-1(2H)-QUINOLINYL)-6-[(2-METHOXYPHENYL)AMINO]-.cml