2796531
  -OEChem-05211316112D

 40 43  0     1  0  0  0  0  0999 V2000
    2.0000    2.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -1.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    1.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -0.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    1.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
  3 40  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 20  2  0  0  0  0
 13 18  1  0  0  0  0
 13 28  1  0  0  0  0
 14 21  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 16 23  1  0  0  0  0
 16 31  1  0  0  0  0
 17 24  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2796531

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
480

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MQAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACxUAAAHwAQCAAADAzBmAwxxoPAAgCIAiVSUACCAAAlIgAIiIEObMiIJjrC1ZOEcYhu1xPI2eeYyCCOAAAAAAAKAAAAAAAAABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

> <PUBCHEM_IUPAC_NAME>
3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H15FN2O2/c21-13-9-11-14(12-10-13)23-19(16-6-2-4-8-18(16)24)22-17-7-3-1-5-15(17)20(23)25/h1-12,19,22,24H

> <PUBCHEM_IUPAC_INCHIKEY>
ZEFTXOXLFAHRAD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
334.111756

> <PUBCHEM_MOLECULAR_FORMULA>
C20H15FN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
334.343703

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)O

> <PUBCHEM_CACTVS_TPSA>
52.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.111756

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
12

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  16  8
11  17  8
12  20  8
13  18  8
14  21  8
15  19  8
16  23  8
17  24  8
18  19  8
20  22  8
21  22  8
23  25  8
24  25  8
6  7  3
7  12  8
7  14  8
8  13  8
8  9  8
9  15  8

$$$$