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150057-08-2

150057-08-2 | 3-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-4-hydroxy-2-oxo-, methyl ester

CAS No: 150057-08-2 Catalog No: AG001MAO MDL No:

Product Description

Catalog Number:
AG001MAO
Chemical Name:
3-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-4-hydroxy-2-oxo-, methyl ester
CAS Number:
150057-08-2
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
methyl 4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C11H13NO4/c1-16-11(15)8-9(13)6-4-2-3-5-7(6)12-10(8)14/h2-5H2,1H3,(H2,12,13,14)
InChI Key:
LYRIJLARNMSQIM-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(=O)[nH]c2c(c1O)CCCC2

Properties

Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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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