59192065
  -OEChem-04262410432D

 38 40  0     0  0  0  0  0  0999 V2000
    2.8660   -1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -1.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470    1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9960    0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9960   -1.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.4457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.5196    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 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  2  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  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 17  1  0  0  0  0
 14 29  1  0  0  0  0
 15 18  2  0  0  0  0
 15 30  1  0  0  0  0
 16 20  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59192065

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
366

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAQAAAADAzBngY+xvLIFACoAzV3VACCiCA1IiAI2KE+bNgMJvLEtZuEMShkxhHI6YeY2cKeKAACAAACAABQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(4-methoxyphenyl)methyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(4-methoxyphenyl)methyl]-6-quinolinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(4-methoxyphenyl)methyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[(4-methoxyphenyl)methyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(4-methoxyphenyl)methyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-p-anisylquinoline-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16N2O2/c1-22-16-7-4-13(5-8-16)12-20-18(21)15-6-9-17-14(11-15)3-2-10-19-17/h2-11H,12H2,1H3,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
PUOBLFLFBMUIRO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.6

> <PUBCHEM_EXACT_MASS>
292.121177757

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
292.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=CC=C3

> <PUBCHEM_CACTVS_TPSA>
51.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
292.121177757

> <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>
0

> <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  13  8
12  13  8
14  17  8
15  18  8
16  20  8
17  19  8
18  19  8
20  21  8
4  10  8
4  21  8
6  12  8
6  9  8
7  14  8
7  15  8
8  10  8
8  16  8
8  9  8

$$$$