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Home Carboxys 3-Quinolinecarboxylic acid, 4-hydroxy-6-(1-methylethyl)-, ethyl ester

3-Quinolinecarboxylic acid, 4-hydroxy-6-(1-methylethyl)-, ethyl ester

CAS No.:
64321-61-5
Catalog Number:
AG01DTP2
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$51
- +
250mg
95%
In Stock USA
United States
$95
- +
1g
95%
In Stock USA
United States
$189
- +
Product Description
Catalog Number:
AG01DTP2
Chemical Name:
3-Quinolinecarboxylic acid, 4-hydroxy-6-(1-methylethyl)-, ethyl ester
CAS Number:
64321-61-5
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
MDL Number:
MFCD24862198
IUPAC Name:
ethyl 4-oxo-6-propan-2-yl-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C15H17NO3/c1-4-19-15(18)12-8-16-13-6-5-10(9(2)3)7-11(13)14(12)17/h5-9H,4H2,1-3H3,(H,16,17)
InChI Key:
JBFFEVKDAYLOKF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2)C(C)C
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore modeling. Journal of medicinal chemistry 20060420
Properties