Mrv0541 03191411112D          

 28 30  0  0  0  0            999 V2000
    7.1650   -6.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4505   -6.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4505   -5.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8795   -6.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7361   -6.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7361   -4.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1650   -4.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8795   -5.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0216   -5.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0216   -6.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7361   -4.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0216   -3.6669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4505   -3.6669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4505   -1.1919    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7361   -1.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1650   -1.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1650   -2.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7361   -2.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4505   -2.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8795   -2.8419    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0216   -2.8419    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4505   -0.3669    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7361   -7.3794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4505   -7.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5940   -6.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5940   -7.3794    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3084   -6.1419    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3132   -6.9620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
 25  4  1  0  0  0  0
 10  5  2  0  0  0  0
 23  5  1  0  0  0  0
  9  6  2  0  0  0  0
 11  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 19 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 22 14  1  0  0  0  0
 18 15  1  0  0  0  0
 17 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 19 18  2  0  0  0  0
 21 18  1  0  0  0  0
 24 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 25 28  1  0  0  0  0
M  CHG  2  14   1  22  -1
M  END
> <ID>
CHEBI:77774

> <NAME>
SCH-351591

> <DEFINITION>
An aromatic amide resulting from the formal condensation of the carboxy group of 8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid with the primary amino group of 3,5-dichloropyridin-4-amine 1-oxide. It is a potent inhibitor of phosphodiesterase IV (PDE4).

> <STAR>
3

> <SYNONYM>
SCH351591; Sch-351591; Sch 351591; N-(3,5-dichloro-1-oxido-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)-5-quinoline carboxamide; 8-methoxy-2-trifluoromethylquinoline-5-carboxylic acid (3,5-dichloro-1-oxypyridin-4-yl)amide

> <IUPAC_NAME>
N-(3,5-dichloro-1-oxidopyridin-4-yl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide

> <FORMULA>
C17H10Cl2F3N3O3

> <MASS>
432.18100

> <MONOISOTOPIC_MASS>
431.00513

> <CHARGE>
0

> <SMILES>
COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(nc12)C(F)(F)F

> <INCHI>
InChI=1S/C17H10Cl2F3N3O3/c1-28-12-4-2-9(8-3-5-13(17(20,21)22)23-14(8)12)16(26)24-15-10(18)6-25(27)7-11(15)19/h2-7H,1H3,(H,24,26)

> <INCHIKEY>
RUOGJYKOQBFJIG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
444659-43-2

> <REAXYS_REGISTRY_NUMBER>
9159062

> <CHEMIDPLUS>
444659-43-2

> <PUBMED_CITATION>
12039576; 12065709; 15204971; 15498513; 18776163; 18776166; 20460440; 20585143

$$$$