
 NSC168466

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.2415    0.8953   -0.5464 C   0  0  0  0  0
    1.7114    0.9026   -0.1813 C   0  0  0  0  0
    2.3264   -0.1070    0.3676 N   0  0  0  0  0
    1.6123   -1.2300    0.6306 N   0  0  0  0  0
    2.2945   -2.3426    1.1573 C   0  0  0  0  0
    1.7971   -3.5592    0.8451 N   0  0  0  0  0
    2.4188   -4.6539    1.3226 C   0  0  0  0  0
    1.9283   -5.9130    1.0016 C   0  0  0  0  0
    2.5398   -7.0829    1.4644 C   0  0  0  0  0
    3.6701   -7.0021    2.2696 C   0  0  0  0  0
    4.1823   -5.7530    2.6114 C   0  0  0  0  0
    3.5631   -4.5808    2.1434 C   0  0  0  0  0
    4.0512   -3.3139    2.4698 C   0  0  0  0  0
    3.4077   -2.1857    1.9754 C   0  0  0  0  0
    2.5256    2.1257   -0.4653 C   0  0  0  0  0
    1.9432    3.3995   -0.4493 C   0  0  0  0  0
    2.7195    4.5315   -0.7176 C   0  0  0  0  0
    4.0796    4.4006   -0.9970 C   0  0  0  0  0
    4.6715    3.1390   -0.9987 C   0  0  0  0  0
    3.9017    2.0112   -0.7235 C   0  0  0  0  0
    4.5666    0.8132   -0.7238 O   0  0  0  0  0
   -0.0521    1.7717   -1.1267 H   0  0  0  0  0
   -0.3589    0.8537    0.3669 H   0  0  0  0  0
    0.0201    0.0203   -1.1647 H   0  0  0  0  0
    0.9127   -1.5752   -0.0243 H   0  0  0  0  0
    1.0453   -5.9860    0.3711 H   0  0  0  0  0
    2.1303   -8.0521    1.1918 H   0  0  0  0  0
    4.1511   -7.9072    2.6305 H   0  0  0  0  0
    5.0667   -5.6959    3.2418 H   0  0  0  0  0
    4.9257   -3.1946    3.1029 H   0  0  0  0  0
    3.7714   -1.1943    2.2248 H   0  0  0  0  0
    0.8935    3.5395   -0.2077 H   0  0  0  0  0
    2.2643    5.5192   -0.7009 H   0  0  0  0  0
    4.6824    5.2813   -1.2036 H   0  0  0  0  0
    5.7333    3.0319   -1.2042 H   0  0  0  0  0
    3.9590    0.1416   -0.3408 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2 15  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5 14  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
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 11 29  1  0  0  0
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 15 16  2  0  0  0
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 16 17  1  0  0  0
 16 32  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
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 19 20  2  0  0  0
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 20 21  1  0  0  0
 21 36  1  0  0  0
M  END

>  <Chemical Name>
NSC168466

>  <PubChem CID>
135443554

>  <Formula>
C17H15N3O

>  <Molecular Weight>
277.327000

>  <IUPAC Name>
2-[(E)-C-methyl-N-(quinolin-2-ylamino)carbonimidoyl]phenol

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=NNC1=NC2=CC=CC=C2C=C1)C3=CC=CC=C3O

>  <Isomeric SMILES>
C/C(=N\NC1=NC2=CC=CC=C2C=C1)/C3=CC=CC=C3O

>  <InChI Std. ID>
InChI=1S/C17H15N3O/c1-12(14-7-3-5-9-16(14)21)19-20-17-11-10-13-6-2-4-8-15(13)18-17/h2-11,21H,1H3,(H,18,20)/b19-12+

>  <InChI Key>
IZHPDVLGPQNUBP-XDHOZWIPSA-N

