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13997-19-8 | 3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester
CAS No: 13997-19-8 Catalog No: AG001BWH MDL No:MFCD00867198
Product Description
Catalog Number:
AG001BWH
Chemical Name:
3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester
CAS Number:
13997-19-8
Molecular Formula:
C22H23NO4
Molecular Weight:
365.4223
MDL Number:
MFCD00867198
IUPAC Name:
methyl 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)
InChI Key:
NNOPDLNHPOLRRE-UHFFFAOYSA-N
SMILES:
CCCCc1cc2c(cc1OCc1ccccc1)[nH]cc(c2=O)C(=O)OC
EC Number:
237-796-6
UNII:
91ZE013933
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.429g/mol
Monoisotopic Mass:
365.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| N-(4-Butanoyl-3-hy-droxy-phen-yl)butanamide. | Acta crystallographica. Section E, Structure reports online 20110201 |
| Determination of nequinate and buquinolate in livestock products using liquid chromatography-tandem mass spectrometry. | Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20110101 |
| Determination of methylbenzoquate in premixes and animal feeds using liquid chromatography with fluorescence detection. | Journal of AOAC International 20050101 |
| In vitro cultivation of Cryptosporidium parvum and screening for anticryptosporidial drugs. | Antimicrobial agents and chemotherapy 19900801 |
| Products from furans. 1. Sunthesis and anticoccidial and antimicrobial activity of 5-amino-5,6-dihydro-6-methoxy-2-methyl-2-(4'-biphenylyl)-2H-pyran-3(4H)-ones and related compounds. | Journal of medicinal chemistry 19760201 |
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