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135096-79-6 | Hydroquinine 4-methyl-2-quinolyl ether
CAS No: 135096-79-6 Catalog No: AG003QYW MDL No:
Product Description
Catalog Number:
AG003QYW
Chemical Name:
Hydroquinine 4-methyl-2-quinolyl ether
CAS Number:
135096-79-6
IUPAC Name:
2-[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-4-methylquinoline
InChI:
InChI=1S/C30H33N3O2/c1-4-20-18-33-14-12-21(20)16-28(33)30(24-11-13-31-26-10-9-22(34-3)17-25(24)26)35-29-15-19(2)23-7-5-6-8-27(23)32-29/h5-11,13,15,17,20-21,28,30H,4,12,14,16,18H2,1-3H3/t20-,21-,28-,30+/m0/s1
InChI Key:
XNLQXNDAUCSSKU-SZGTYURGSA-N
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
467.257g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
467.613g/mol
Monoisotopic Mass:
467.257g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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