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338747-47-0,MFCD01315711
Catalog No.:AA00ITUY
338747-47-0 | ethyl 7-fluoro-1-[(4-methylphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
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1mg
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10mg
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500mg
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00ITUY
Chemical Name:
ethyl 7-fluoro-1-[(4-methylphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
CAS Number:
338747-47-0
Molecular Formula:
C20H18FNO3
Molecular Weight:
339.3602
MDL Number:
MFCD01315711
IUPAC Name:
ethyl 7-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxylate
InChI:
InChI=1S/C20H18FNO3/c1-3-25-20(24)17-12-22(11-14-6-4-13(2)5-7-14)18-10-15(21)8-9-16(18)19(17)23/h4-10,12H,3,11H2,1-2H3
InChI Key:
LSCTVEQXPSJDFD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(Cc2ccc(cc2)C)c2c(c1=O)ccc(c2)F
Properties
Computed Properties
 
Complexity:
539  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.127g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.366g/mol
Monoisotopic Mass:
339.127g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Synonyms
 
ethyl 7-fluoro-1-(4-methylbenzyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylate 
338747-47-0 
AKOS005090379 
4M-321S 
MCULE-9244414592 
SC-63685 
SMR000549880 
7-Fluoro-1-(4-methyl-benzyl)-4-oxo-1,4-dihydro-qui 
ethyl 7-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxylate 
ZINC01389034 
CID1476760 
ethyl 7-fluoro-1-[(4-methylphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate 
AC1LRSHF 
Oprea1_294167 
MLS001166370 
CHEMBL1711096 
KS-00001WNC 
HMS2868B07 
ZINC1389034 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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