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6687-86-1 | α-Cyano-3,4-dihydro-1(2H)-quinolineacrylic acid=ethyl
CAS No: 6687-86-1 Catalog No: AG00FMER MDL No:
Product Description
Catalog Number:
AG00FMER
Chemical Name:
α-Cyano-3,4-dihydro-1(2H)-quinolineacrylic acid=ethyl
CAS Number:
6687-86-1
IUPAC Name:
ethyl (E)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate
InChI:
InChI=1S/C15H16N2O2/c1-2-19-15(18)13(10-16)11-17-9-5-7-12-6-3-4-8-14(12)17/h3-4,6,8,11H,2,5,7,9H2,1H3/b13-11+
InChI Key:
CQQPOEPVLMKPHG-ACCUITESSA-N
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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