5424-37-3
1,3-BIS(4-AMINO-2-METHYL-6-QUINOLYL)UREA DIHYDROCHLORIDE
Name1,3-BIS(4-AMINO-2-METHYL-6-QUINOLYL)UREA DIHYDROCHLORIDE
FormulaC21 H20 N6 O . 2 Cl H
1Identification
【Name】
1,3-BIS(4-AMINO-2-METHYL-6-QUINOLYL)UREA DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01676891
【English Synonyms】
【Formula】
C21 H20 N6 O . 2 Cl H
【MolWeight】
445.352
【Inchi】
InChI=1S/C21H20N6O.2ClH/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20;;/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28);2*1H
【InChIKey】
InChIKey=GKQYGRWQCWWSHN-UHFFFAOYSA-N
【SMILES】
Cc1cc(c2cc(ccc2n1)NC(=O)Nc3ccc4c(c3)c(cc(n4)C)N)N.Cl.Cl
【MOL File】
1,3-BIS(4-AMINO-2-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-BIS(4-AMINO-2-METHYL-6-QUINOLYL)UREA DIHYDROCHLORIDE.cml