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87179-86-0 | 6,7-dimethoxy-8-(6-methoxyisoquinolin-7-yl)oxy-isoquinoline
CAS No: 87179-86-0 Catalog No: AG004SPM MDL No:
Product Description
Catalog Number:
AG004SPM
Chemical Name:
6,7-dimethoxy-8-(6-methoxyisoquinolin-7-yl)oxy-isoquinoline
CAS Number:
87179-86-0
Molecular Formula:
C21H18N2O4
Molecular Weight:
362.3786
IUPAC Name:
6,7-dimethoxy-8-(6-methoxyisoquinolin-7-yl)oxyisoquinoline
InChI:
InChI=1S/C21H18N2O4/c1-24-17-8-13-4-6-22-11-15(13)10-18(17)27-20-16-12-23-7-5-14(16)9-19(25-2)21(20)26-3/h4-12H,1-3H3
InChI Key:
ZHIYVDAJUKMVRP-UHFFFAOYSA-N
SMILES:
COc1cc2ccncc2cc1Oc1c(OC)c(OC)cc2c1cncc2
NSC Number:
377133
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.385g/mol
Monoisotopic Mass:
362.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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