16220172
  -OEChem-04242418112D

 57 59  0     0  0  0  0  0  0999 V2000
    8.9962    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9962   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9962   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2282    0.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2282    2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762   -2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6162   -2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9962   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6162   -1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9962   -0.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9962   -0.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3762   -1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9962   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042    1.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1312    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2842    2.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6913    0.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5382    0.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7651    0.8490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7651    2.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9182    2.8080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    1.9610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.7496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.9279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 51  1  0  0  0  0
  2 20  2  0  0  0  0
  3 22  2  0  0  0  0
  4 11  1  0  0  0  0
  4 20  1  0  0  0  0
  4 50  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 53  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 30  1  0  0  0  0
 11 19  2  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 19  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 52  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 54  1  0  0  0  0
 27 29  1  0  0  0  0
 27 55  1  0  0  0  0
 28 29  2  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16220172

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
671

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQCAAADgzBmAQyxoLAAgCIAqVWUACCAAAlIgAIiIEObMgIJjrKlZOEcYhm1BnI2ceY2fOfqAACAgAKAABQAAQEABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,4-ditert-butyl-5-hydroxy-phenyl)-4-oxo-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,4-di<I>tert</I>-butyl-5-hydroxyphenyl)-4-oxo-1<I>H</I>-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2,4-ditert-butyl-5-oxidanyl-phenyl)-4-oxidanylidene-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,4-ditert-butyl-5-hydroxy-phenyl)-4-keto-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)

> <PUBCHEM_IUPAC_INCHIKEY>
PURKAOJPTOLRMP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.6

> <PUBCHEM_EXACT_MASS>
392.20999276

> <PUBCHEM_MOLECULAR_FORMULA>
C24H28N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
392.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C

> <PUBCHEM_CACTVS_TPSA>
78.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
392.20999276

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
11  19  8
15  19  8
21  22  8
21  24  8
22  23  8
23  25  8
23  26  8
25  27  8
26  28  8
27  29  8
28  29  8
5  24  8
5  25  8
8  10  8
8  11  8
9  10  8
9  15  8

$$$$