56882-48-5
2,3,5,6-TETRAHYDRO-5-(1,3-BENZODIOXOL-5-YL)IMIDAZO[2,1-A]ISOQUINOLIN-5-OL
Name2,3,5,6-TETRAHYDRO-5-(1,3-BENZODIOXOL-5-YL)IMIDAZO[2,1-A]ISOQUINOLIN-5-OL
1Identification
【Name】
2,3,5,6-TETRAHYDRO-5-(1,3-BENZODIOXOL-5-YL)IMIDAZO[2,1-A]ISOQUINOLIN-5-OL
【CAS】
【MDL】
MFCD01721901
【English Synonyms】
【Formula】
C18 H16 N2 O3
【MolWeight】
308.335
【Inchi】
InChI=1S/C18H16N2O3/c21-18(13-5-6-15-16(9-13)23-11-22-15)10-12-3-1-2-4-14(12)17-19-7-8-20(17)18/h1-6,9,21H,7-8,10-11H2
【InChIKey】
InChIKey=VTMGLOBDVHRQIR-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)CC(N3C2=NCC3)(c4ccc5c(c4)OCO5)O
【MOL File】
2,3,5,6-TETRAHYDRO-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,5,6-TETRAHYDRO-5-(1,3-BENZODIOXOL-5-YL)IMIDAZO[2,1-A]ISOQUINOLIN-5-OL.cml