
 4-hydroxy-2-oxo-N'-[(E)-phenylmethylidene]-1,2-dihydroquinoline-3-carbohydrazide

 36 38  0  0  0  0  0  0  0  0999 V2000
   -0.2895   -4.3719    0.9905 C   0  0  0  0  0
    0.4833   -3.4327    1.6751 C   0  0  0  0  0
    1.8262   -3.2544    1.3400 C   0  0  0  0  0
    2.3925   -4.0214    0.3185 C   0  0  0  0  0
    1.6205   -4.9631   -0.3686 C   0  0  0  0  0
    0.2774   -5.1359   -0.0306 C   0  0  0  0  0
    3.8089   -3.8580   -0.0577 C   0  0  0  0  0
    4.5742   -2.9728    0.4985 N   0  0  0  0  0
    5.8546   -2.9592    0.0314 N   0  0  0  0  0
    6.7598   -2.0134    0.4675 C   0  0  0  0  0
    6.5234   -1.1443    1.3096 O   0  0  0  0  0
    8.1076   -2.0796   -0.1875 C   0  0  0  0  0
    9.0198   -1.1206    0.0886 C   0  0  0  0  0
   10.3462   -1.1277   -0.5565 C   0  0  0  0  0
   11.3133   -0.1453   -0.3085 C   0  0  0  0  0
   12.5535   -0.1884   -0.9524 C   0  0  0  0  0
   12.8404   -1.2147   -1.8512 C   0  0  0  0  0
   11.8896   -2.2013   -2.1072 C   0  0  0  0  0
   10.6538   -2.1513   -1.4606 C   0  0  0  0  0
    9.7025   -3.1381   -1.7233 N   0  0  0  0  0
    8.4612   -3.1622   -1.1539 C   0  0  0  0  0
    7.6627   -4.0535   -1.4448 O   0  0  0  0  0
    8.8086   -0.0641    0.9601 O   0  0  0  0  0
   -1.3356   -4.5078    1.2536 H   0  0  0  0  0
    0.0406   -2.8381    2.4702 H   0  0  0  0  0
    2.4245   -2.5204    1.8760 H   0  0  0  0  0
    2.0496   -5.5632   -1.1664 H   0  0  0  0  0
   -0.3287   -5.8655   -0.5626 H   0  0  0  0  0
    4.1858   -4.5291   -0.8508 H   0  0  0  0  0
    6.1404   -3.6523   -0.6642 H   0  0  0  0  0
   11.1079    0.6653    0.3879 H   0  0  0  0  0
   13.2934    0.5824   -0.7507 H   0  0  0  0  0
   13.8052   -1.2437   -2.3520 H   0  0  0  0  0
   12.1229   -2.9954   -2.8102 H   0  0  0  0  0
    9.9112   -3.8842   -2.3748 H   0  0  0  0  0
    7.9063   -0.1527    1.3471 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 21  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 23  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
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 17 33  1  0  0  0
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 20 21  1  0  0  0
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 23 36  1  0  0  0
M  END

>  <Chemical Name>
4-hydroxy-2-oxo-N'-[(E)-phenylmethylidene]-1,2-dihydroquinoline-3-carbohydrazide

>  <PubChem CID>
54725416

>  <Formula>
C17H13N3O3

>  <Molecular Weight>
307.309000

>  <IUPAC Name>
N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)C=NNC(=O)C2=C(C3=CC=CC=C3NC2=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)/C=N/NC(=O)C2=C(C3=CC=CC=C3NC2=O)O

>  <InChI Std. ID>
InChI=1S/C17H13N3O3/c21-15-12-8-4-5-9-13(12)19-16(22)14(15)17(23)20-18-10-11-6-2-1-3-7-11/h1-10H,(H,20,23)(H2,19,21,22)/b18-10+

>  <InChI Key>
ADDZLKKZKXLNRZ-VCHYOVAHSA-N

