21002802
  -OEChem-04262418322D

 44 47  0     0  0  0  0  0  0999 V2000
    6.3981   -4.5173    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    2.4585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    4.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    2.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    4.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    1.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    0.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747    0.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762    1.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    0.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -0.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -0.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747    0.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -1.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -1.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -3.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -3.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    5.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    4.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    4.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    3.4933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    3.2631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    2.4170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 21  1  0  0  0  0
  2 25  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  2  0  0  0  0
  5 22  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  2  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  0  0  0  0
 15 19  2  0  0  0  0
 15 35  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 36  1  0  0  0  0
 18 23  2  0  0  0  0
 18 37  1  0  0  0  0
 19 23  1  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 20 39  1  0  0  0  0
 21 24  1  0  0  0  0
 22 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21002802

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
424

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oQAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHwAAAAAADAzBng439vcIFACgAyZjZACCiCkxIqAJ2CA+bJiMbqLE+duUNChswBPI6CewwBAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methoxy-quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-[4-(4-fluorophenyl)-1-piperazinyl]-6-methoxyquinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methoxyquinazoline

> <PUBCHEM_IUPAC_NAME>
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methoxyquinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methoxy-quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[4-(4-fluorophenyl)piperazino]-6-methoxy-quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19FN4O/c1-25-16-6-7-18-17(12-16)19(22-13-21-18)24-10-8-23(9-11-24)15-4-2-14(20)3-5-15/h2-7,12-13H,8-11H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KWZRSRMVOGMIKK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
338.15428940

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19FN4O

> <PUBCHEM_MOLECULAR_WEIGHT>
338.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C4=CC=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C4=CC=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
338.15428940

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  13  8
12  14  8
12  15  8
13  16  8
13  17  8
14  18  8
15  19  8
16  20  8
17  21  8
18  23  8
19  23  8
20  24  8
21  24  8
5  11  8
5  22  8
6  16  8
6  22  8

$$$$