9594929
  -OEChem-04262417202D

 39 41  0     0  0  0  0  0  0999 V2000
    8.9962    2.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.9227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -0.4227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881   -4.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -4.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081   -3.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    1.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6162    3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762    3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 22  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 26  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  2  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 32  1  0  0  0  0
 17 20  1  0  0  0  0
 17 33  1  0  0  0  0
 18 21  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9594929

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
365

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAYAAAADAzBngYyxvJqFACgAzRjRACSjCAhIiAYmCA2bJgMJuLE8duENChk2BHI6AeQwIAOIAAAAAACAABAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(E)-(4-methoxyphenyl)methyleneamino]-2-methyl-quinolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-4-quinolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(<I>E</I>)-(4-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine

> <PUBCHEM_IUPAC_NAME>
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-quinolin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2-methyl-4-quinolyl)-[(E)-p-anisylideneamino]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17N3O/c1-13-11-18(16-5-3-4-6-17(16)20-13)21-19-12-14-7-9-15(22-2)10-8-14/h3-12H,1-2H3,(H,20,21)/b19-12+

> <PUBCHEM_IUPAC_INCHIKEY>
NZBRHKYJUWKMKG-XDHOZWIPSA-N

> <PUBCHEM_XLOGP3>
4.4

> <PUBCHEM_EXACT_MASS>
291.137162174

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
291.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=CC=CC=C2C(=C1)NN=CC3=CC=C(C=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=CC=CC=C2C(=C1)N/N=C/C3=CC=C(C=C3)OC

> <PUBCHEM_CACTVS_TPSA>
46.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.137162174

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  13  8
12  13  8
15  17  8
15  18  8
17  20  8
18  21  8
19  20  8
19  21  8
2  7  8
2  9  8
5  10  8
5  6  8
5  7  8
6  8  8
7  11  8
8  9  8

$$$$