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Home Carboxys 3-Ethyl 8-methyl 4-oxo-1H-quinoline-3,8-dicarboxylate

3-Ethyl 8-methyl 4-oxo-1H-quinoline-3,8-dicarboxylate

CAS No.:
111185-66-1
Catalog Number:
AG00HC4C
Molecular Formula:
C14H13NO5
Molecular Weight:
275.2567
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$750
- +
10g
98%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG00HC4C
Chemical Name:
3-Ethyl 8-methyl 4-oxo-1H-quinoline-3,8-dicarboxylate
CAS Number:
111185-66-1
Molecular Formula:
C14H13NO5
Molecular Weight:
275.2567
MDL Number:
MFCD02224878
IUPAC Name:
3-O-ethyl 8-O-methyl 4-oxo-1H-quinoline-3,8-dicarboxylate
InChI:
InChI=1S/C14H13NO5/c1-3-20-14(18)10-7-15-11-8(12(10)16)5-4-6-9(11)13(17)19-2/h4-7H,3H2,1-2H3,(H,15,16)
InChI Key:
ULYDEAPQWZWKJY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c(c1=O)cccc2C(=O)OC
Properties
Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.079g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.26g/mol
Monoisotopic Mass:
275.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties