69276152
  -OEChem-05102403362D

 41 43  0     1  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  3  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
    6.3301    1.5173    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
    8.0622    0.5173    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
   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
    8.9282   -0.9827    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
    9.7942   -1.4827    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
   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
    6.8671    0.8273    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
    6.9501    1.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    1.5173    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
    9.7942    1.1373    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
    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
    9.7942   -2.1027    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
   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 18  1  0  0  0  0
  1 23  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  0  0  0  0
  4 14  1  0  0  0  0
  4 22  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  0  0  0  0
 11 17  2  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 20  1  0  0  0  0
 13 31  1  0  0  0  0
 14 19  1  0  0  0  0
 15 19  2  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69276152

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
393

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAQAAAADCzBngY+xvLIFACoAzV3VACCiCA1IiAI2KE+bNgMJvLEtZuEMShk1hHI6YeY2cOeKAACAAACAABQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-(4-methoxyphenyl)ethyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(4-methoxyphenyl)ethyl]-6-quinolinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(4-methoxyphenyl)ethyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(4-methoxyphenyl)ethyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(4-methoxyphenyl)ethyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-(4-methoxyphenyl)ethyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18N2O2/c1-13(14-5-8-17(23-2)9-6-14)21-19(22)16-7-10-18-15(12-16)4-3-11-20-18/h3-13H,1-2H3,(H,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
TXYSRPPWERZLFI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3

> <PUBCHEM_EXACT_MASS>
306.136827821

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
306.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)N=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)N=CC=C3

> <PUBCHEM_CACTVS_TPSA>
51.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
306.136827821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  16  8
11  17  8
12  13  8
12  14  8
12  20  8
14  19  8
15  19  8
16  18  8
17  18  8
20  21  8
21  22  8
4  14  8
4  22  8
5  7  3
6  10  8
6  11  8
8  13  8
8  15  8

$$$$