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5466-27-3 | 4-ethoxycarbonyl-2-quinolone
CAS No: 5466-27-3 Catalog No: AG00DTEL MDL No:MFCD02041443
Product Description
Catalog Number:
AG00DTEL
Chemical Name:
4-ethoxycarbonyl-2-quinolone
CAS Number:
5466-27-3
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD02041443
IUPAC Name:
ethyl 2-oxo-1H-quinoline-4-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-11(14)13-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3,(H,13,14)
InChI Key:
WTHATVQLTWYSCI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(O)nc2c1cccc2
NSC Number:
25661
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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