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6974-63-6 | ethyl quinolin-2-ylmethyl 2-hydroxypropanedioate
CAS No: 6974-63-6 Catalog No: AG00FOHC MDL No:
Product Description
Catalog Number:
AG00FOHC
Chemical Name:
ethyl quinolin-2-ylmethyl 2-hydroxypropanedioate
CAS Number:
6974-63-6
IUPAC Name:
1-O-ethyl 3-O-(quinolin-2-ylmethyl) 2-hydroxypropanedioate
InChI:
InChI=1S/C15H15NO5/c1-2-20-14(18)13(17)15(19)21-9-11-8-7-10-5-3-4-6-12(10)16-11/h3-8,13,17H,2,9H2,1H3
InChI Key:
FWTSNQDBSJDICB-UHFFFAOYSA-N
NSC Number:
15153
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.287g/mol
Monoisotopic Mass:
289.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| A novel small-molecule inhibitor of the avian influenza H5N1 virus determined through computational screening against the neuraminidase. | Journal of medicinal chemistry 20090514 |
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