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Home Carboxys Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

CAS No.:
112811-71-9
Catalog Number:
AG00387K
Molecular Formula:
C16H15F2NO4
Molecular Weight:
323.2914
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$161
- +
5g
98%(HPLC)
In Stock USA
United States
$457
- +
25g
98%(HPLC)
In Stock USA
United States
$1769
- +
Product Description
Catalog Number:
AG00387K
Chemical Name:
Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
CAS Number:
112811-71-9
Molecular Formula:
C16H15F2NO4
Molecular Weight:
323.2914
MDL Number:
MFCD05864419
IUPAC Name:
ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
InChI:
InChI=1S/C16H15F2NO4/c1-3-23-16(21)10-7-19(8-4-5-8)13-9(14(10)20)6-11(17)12(18)15(13)22-2/h6-8H,3-5H2,1-2H3
InChI Key:
XPAOPAPDCRLMTR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2OC)F)F
Properties
Complexity:
534  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.097g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.296g/mol
Monoisotopic Mass:
323.097g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Ethyl 8-chloro-1-cyclo-propyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20111101
Ethyl 1-cyclo-propyl-6,7-difluoro-8-meth-oxy-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20081101
Properties