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94242-51-0,MFCD01173811
Catalog No.:AA00GXEP
94242-51-0 | 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid ethyl ester
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Technical Information
Catalog Number:
AA00GXEP
Chemical Name:
1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid ethyl ester
CAS Number:
94242-51-0
Molecular Formula:
C15H12F3NO3
Molecular Weight:
311.2559
MDL Number:
MFCD01173811
IUPAC Name:
ethyl 1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
InChI:
InChI=1S/C15H12F3NO3/c1-2-22-15(21)9-6-19(7-3-4-7)13-8(14(9)20)5-10(16)11(17)12(13)18/h5-7H,2-4H2,1H3
InChI Key:
FGICMAMEHORFNK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2F)F)F
EC Number:
619-003-9
Properties
Computed Properties
 
Complexity:
520  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.077g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.26g/mol
Monoisotopic Mass:
311.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
94242-51-0 
1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester 
CHEMBL1543360 
CTK6F6984 
DTXSID10336680 
HMS1557B11 
HMS2678B08 
ZINC4851819 
AKOS000637019 
MCULE-8968506733 
SMR000279693 
FT-0665408 
FGICMAMEHORFNK-UHFFFAOYSA-N 
SR-01000311340 
SR-01000311340-1 
ethyl 1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate 
1-Cyclopropyl-1,4-dihydro-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic Acid Ethyl Ester 
1-Cyclopropyl-4-oxo-6,7,8-trifluoro-1,4-dihydroquinoline-3-carboxylic acid ethyl ester 
1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid ethyl ester 
1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, ethyl ester 
1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid Ethyl Ester 
1-cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester 
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ethyl ester 
BAS 00805195 
ethyl 1-cyclopropyl-1,4-dihydro-4-oxo-6,7,8-trifluoroquinoline-3-carboxylate 
ethyl 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinoline-carboxylate 
ethyl 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate 
ethyl 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate 
Ethyl 1-cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate 
Ethyl 1-cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate # 
ethyl 1-cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylate 
Ethyl 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate 
CID535415 
ZINC04851819 
AC1LBGP4 
TimTec1_008129 
Oprea1_041958 
Oprea1_070329 
MLS000765987 
SCHEMBL2844967 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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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