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89707-47-1

89707-47-1 | Isoquinoline, 6,7-dimethoxy-3-[(1-methyl-4-piperidinyl)oxy]-1-phenyl-

CAS No: 89707-47-1 Catalog No: AG0042EU MDL No:

Product Description

Catalog Number:
AG0042EU
Chemical Name:
Isoquinoline, 6,7-dimethoxy-3-[(1-methyl-4-piperidinyl)oxy]-1-phenyl-
CAS Number:
89707-47-1
Molecular Formula:
C23H26N2O3
Molecular Weight:
378.4641
IUPAC Name:
6,7-dimethoxy-3-(1-methylpiperidin-4-yl)oxy-1-phenylisoquinoline
InChI:
InChI=1S/C23H26N2O3/c1-25-11-9-18(10-12-25)28-22-14-17-13-20(26-2)21(27-3)15-19(17)23(24-22)16-7-5-4-6-8-16/h4-8,13-15,18H,9-12H2,1-3H3
InChI Key:
MXAJMKFEHXVNAD-UHFFFAOYSA-N
SMILES:
COc1cc2cc(OC3CCN(CC3)C)nc(c2cc1OC)c1ccccc1

Properties

Complexity:
477  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.194g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.472g/mol
Monoisotopic Mass:
378.194g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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