57207714
  -OEChem-04242418422D

 48 51  0     0  0  0  0  0  0999 V2000
    4.6660   -3.2500    0.0000 Cl  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
    2.8680    1.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.7500    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
    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
    7.2641    1.2500    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
    6.3981   -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
    6.3981   -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
    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
    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
    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
    6.3981   -3.2500    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
    2.8718    2.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9181    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5195    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0742    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4728    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976    3.7250    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
    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
    4.9951   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.8700    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
    3.4918    2.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    3.3941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    2.7765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 19  1  0  0  0  0
  2 26  1  0  0  0  0
  3 20  1  0  0  0  0
  3 27  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 36  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  2  0  0  0  0
  7 12  2  0  0  0  0
  7 15  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 11  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 34  1  0  0  0  0
 11 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57207714

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
479

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgIQAAAADA7BniYz1vfIFACgAyRiZACCiCkhJ6AJmKA+7piNbqLF+9uUNCpu0BvK6Cew0PMOIEABIgACQABAgAJEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(3-chlorophenyl)-6,7-dimethoxy-2-piperazin-1-yl-quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-(3-chlorophenyl)-6,7-dimethoxy-2-(1-piperazinyl)quinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(3-chlorophenyl)-6,7-dimethoxy-2-piperazin-1-ylquinazoline

> <PUBCHEM_IUPAC_NAME>
4-(3-chlorophenyl)-6,7-dimethoxy-2-piperazin-1-ylquinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(3-chlorophenyl)-6,7-dimethoxy-2-piperazin-1-yl-quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(3-chlorophenyl)-6,7-dimethoxy-2-piperazino-quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H21ClN4O2/c1-26-17-11-15-16(12-18(17)27-2)23-20(25-8-6-22-7-9-25)24-19(15)13-4-3-5-14(21)10-13/h3-5,10-12,22H,6-9H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
DBNRRTOKNURJRC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
384.1353036

> <PUBCHEM_MOLECULAR_FORMULA>
C20H21ClN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
384.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCNCC3)C4=CC(=CC=C4)Cl)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCNCC3)C4=CC(=CC=C4)Cl)OC

> <PUBCHEM_CACTVS_TPSA>
59.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
384.1353036

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

$$$$