69197197
  -OEChem-05062417422D

 69 73  0     1  0  0  0  0  0999 V2000
    4.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785    0.4654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    3.5347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387   -0.0446    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9271   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8105    0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7873   -1.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0554   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7758   -2.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0438   -2.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9040   -3.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -3.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3982   -0.3483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5380    0.1616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1142   -0.0951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3510    0.7491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5067    0.9859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    3.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3278   -1.2507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5221   -1.2183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3091   -2.8706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5034   -2.8382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8969   -3.6643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 20  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 15  2  0  0  0  0
  4 22  1  0  0  0  0
  4 31  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 57  1  0  0  0  0
  8 24  1  0  0  0  0
  8 30  2  0  0  0  0
  9 26  2  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 16 18  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 19  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 54  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 25 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 56  1  0  0  0  0
 28 32  2  0  0  0  0
 28 33  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
 32 34  1  0  0  0  0
 32 65  1  0  0  0  0
 33 35  2  0  0  0  0
 33 66  1  0  0  0  0
 34 36  2  0  0  0  0
 34 67  1  0  0  0  0
 35 36  1  0  0  0  0
 35 68  1  0  0  0  0
 36 69  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69197197

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
694

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAACx9AAAHgAQAAAADDzhngY39vfIFACoAyZjdACCiCkxIqAJ2KA+7JiPLqLE+duHPCru1hva6Cew0JMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxy-1-piperidyl]-morpholino-methanone

> <PUBCHEM_IUPAC_CAS_NAME>
[4-[[7-methoxy-4-(1-phenylethylamino)-6-quinazolinyl]oxy]-1-piperidinyl]-(4-morpholinyl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
[4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone

> <PUBCHEM_IUPAC_NAME>
[4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-yl-methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxypiperidino]-morpholino-methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H33N5O4/c1-19(20-6-4-3-5-7-20)30-26-22-16-25(24(34-2)17-23(22)28-18-29-26)36-21-8-10-31(11-9-21)27(33)32-12-14-35-15-13-32/h3-7,16-19,21H,8-15H2,1-2H3,(H,28,29,30)

> <PUBCHEM_IUPAC_INCHIKEY>
SLVGUFCOXQUZNH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
491.25325455

> <PUBCHEM_MOLECULAR_FORMULA>
C27H33N5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
491.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OC4CCN(CC4)C(=O)N5CCOCC5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OC4CCN(CC4)C(=O)N5CCOCC5)OC

> <PUBCHEM_CACTVS_TPSA>
89

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
491.25325455

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
20  21  8
20  22  8
21  23  8
22  25  8
23  24  8
23  26  8
24  25  8
27  29  3
28  32  8
28  33  8
32  34  8
33  35  8
34  36  8
35  36  8
8  24  8
8  30  8
9  26  8
9  30  8

$$$$