59212954
  -OEChem-05102400592D

 42 45  0     0  0  0  0  0  0999 V2000
    8.9962    0.0194    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.5047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8981   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8981   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5891   -2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2071   -2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2916   -3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9629   -3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8333   -3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5045   -3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791   -1.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0227   -2.3205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7735   -2.3205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5171   -1.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.1352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    2.1740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    1.3523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.5301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.5462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 16  1  0  0  0  0
  2 24  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  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  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  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  1  0  0  0  0
 17 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59212954

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
417

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx9AAAHwAAAAAADAzBnw4z9vcIFACgAyZiZACCiCkhIqAJmCA+bJiMLqLE+duENChswBPI6CewwBAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-fluorophenyl)-6-methoxy-4-pyrrolidin-1-yl-quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-fluorophenyl)-6-methoxy-4-(1-pyrrolidinyl)quinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-fluorophenyl)-6-methoxy-4-pyrrolidin-1-ylquinazoline

> <PUBCHEM_IUPAC_NAME>
2-(2-fluorophenyl)-6-methoxy-4-pyrrolidin-1-ylquinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-fluorophenyl)-6-methoxy-4-pyrrolidin-1-yl-quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-fluorophenyl)-6-methoxy-4-pyrrolidino-quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18FN3O/c1-24-13-8-9-17-15(12-13)19(23-10-4-5-11-23)22-18(21-17)14-6-2-3-7-16(14)20/h2-3,6-9,12H,4-5,10-11H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
CWUQQKVRCMRYGG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
323.14339037

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18FN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
323.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)N=C(N=C2N3CCCC3)C4=CC=CC=C4F

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)N=C(N=C2N3CCCC3)C4=CC=CC=C4F

> <PUBCHEM_CACTVS_TPSA>
38.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.14339037

> <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>
10  11  8
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  10  8
4  14  8
5  12  8
5  14  8

$$$$