59213028
  -OEChem-05052411182D

 47 50  0     0  0  0  0  0  0999 V2000
    7.2641    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.9962    0.2500    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
    5.5320   -1.7500    0.0000 C   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
    6.3981   -0.2500    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
    7.2641   -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
    7.2641    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
    4.6381    1.7847    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    0.2292    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
    8.9962    1.2500    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
    9.8622    1.7500    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    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
    9.8622   -0.2500    0.0000 C   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
    7.8747   -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
    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
    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
    4.6453   -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
   10.3991    1.4400    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    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
    9.5522   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1722    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 19  1  0  0  0  0
  3 26  1  0  0  0  0
  4 21  1  0  0  0  0
  4 27  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
  6 15  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 12  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 36  1  0  0  0  0
 17 20  2  0  0  0  0
 17 37  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59213028

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
479

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHwAAAAAADAzhnw4z9vcIFACgAyZiZACCiCkhIqAJmCA+bJiOLqLE+duHNChuwBPY6CewwDAOAEABAAAKAAAAgAIAABQAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
4-[2-(2-fluoro-6-methoxyphenyl)-6-methoxy-4-quinazolinyl]morpholine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[2-(2-fluoro-6-methoxyphenyl)-6-methoxyquinazolin-4-yl]morpholine

> <PUBCHEM_IUPAC_NAME>
4-[2-(2-fluoro-6-methoxyphenyl)-6-methoxyquinazolin-4-yl]morpholine

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H20FN3O3/c1-25-13-6-7-16-14(12-13)20(24-8-10-27-11-9-24)23-19(22-16)18-15(21)4-3-5-17(18)26-2/h3-7,12H,8-11H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
UGFYEVHHYLNIAB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
369.14886967

> <PUBCHEM_MOLECULAR_FORMULA>
C20H20FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
369.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)N=C(N=C2N3CCOCC3)C4=C(C=CC=C4F)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)N=C(N=C2N3CCOCC3)C4=C(C=CC=C4F)OC

> <PUBCHEM_CACTVS_TPSA>
56.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
369.14886967

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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
13  14  8
13  16  8
14  17  8
16  19  8
17  20  8
18  21  8
18  22  8
19  20  8
21  23  8
22  24  8
23  25  8
24  25  8
6  10  8
6  15  8
7  14  8
7  15  8

$$$$