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Home Carboxys 1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

CAS No.:
51726-43-3
Catalog Number:
AG00DCML
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
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Product Description
Catalog Number:
AG00DCML
Chemical Name:
1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
CAS Number:
51726-43-3
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
1,6-dimethyl-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C12H11NO3/c1-7-3-4-10-8(5-7)11(14)9(12(15)16)6-13(10)2/h3-6H,1-2H3,(H,15,16)
InChI Key:
BRENAYCUDGIHED-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(=O)c(cn2C)C(=O)O
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2. Journal of medicinal chemistry 20061102
Properties