22169980
  -OEChem-05142405152D

 43 46  0     0  0  0  0  0  0999 V2000
    6.3981   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.7606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.5304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 16  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  2  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 33  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 34  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22169980

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
396

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAAAAAADAzhnwYz9vcIFACgAyZiZACCiCkhIqAJmCA+bJiOLqLE+duHNChswBPY6CewwBAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(6-methoxy-2-phenyl-quinazolin-4-yl)morpholine

> <PUBCHEM_IUPAC_CAS_NAME>
4-(6-methoxy-2-phenyl-4-quinazolinyl)morpholine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(6-methoxy-2-phenylquinazolin-4-yl)morpholine

> <PUBCHEM_IUPAC_NAME>
4-(6-methoxy-2-phenylquinazolin-4-yl)morpholine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(6-methoxy-2-phenyl-quinazolin-4-yl)morpholine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(6-methoxy-2-phenyl-quinazolin-4-yl)morpholine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19N3O2/c1-23-15-7-8-17-16(13-15)19(22-9-11-24-12-10-22)21-18(20-17)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
AHICLFURCBDIJB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
321.147726857

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
321.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)N=C(N=C2N3CCOCC3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)N=C(N=C2N3CCOCC3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
47.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
321.147726857

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  12  8
11  13  8
12  15  8
13  16  8
15  18  8
16  18  8
17  19  8
17  20  8
19  21  8
20  22  8
21  23  8
22  23  8
4  14  8
4  8  8
5  12  8
5  14  8
8  11  8

$$$$