1928753
  -OEChem-05251319322D

 58 62  0     0  0  0  0  0  0999 V2000
    5.4641   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    3.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    3.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904    4.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    1.0954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    4.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1701    1.6844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4003    2.5304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542    2.7606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6104    4.7765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9880    5.3941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3704    4.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 21  1  0  0  0  0
  2 31  1  0  0  0  0
  3 24  1  0  0  0  0
  3 33  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 13  1  0  0  0  0
  6 12  2  0  0  0  0
  6 19  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  2  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 20  2  0  0  0  0
 16 22  1  0  0  0  0
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 17 23  2  0  0  0  0
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 19 25  1  0  0  0  0
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 25 27  2  0  0  0  0
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 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
 28 30  2  0  0  0  0
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 29 32  2  0  0  0  0
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 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
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 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1928753

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
605

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAACx9AAAHgIAAAAADA7BnyYz9vcIFACgAyZiZACCiCkhJ6AJmCA+7piNbqLF+9uUNCpuwBvK6Cew0BMOIEBBAgACQABAgIIEAASAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
4-[4-(4-chlorophenyl)-1-piperazinyl]-6,7-dimethoxy-2-phenylquinazoline

> <PUBCHEM_IUPAC_NAME>
4-[4-(4-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-phenylquinazoline

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[4-(4-chlorophenyl)piperazino]-6,7-dimethoxy-2-phenyl-quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H25ClN4O2/c1-32-23-16-21-22(17-24(23)33-2)28-25(18-6-4-3-5-7-18)29-26(21)31-14-12-30(13-15-31)20-10-8-19(27)9-11-20/h3-11,16-17H,12-15H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
WBKTYFLLGJSXBU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.8

> <PUBCHEM_EXACT_MASS>
460.166604

> <PUBCHEM_MOLECULAR_FORMULA>
C26H25ClN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
460.9553

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)Cl)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)Cl)OC

> <PUBCHEM_CACTVS_TPSA>
50.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
460.166604

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
12  14  8
13  16  8
13  17  8
14  15  8
14  18  8
15  20  8
16  22  8
17  23  8
18  21  8
20  24  8
21  24  8
22  26  8
23  26  8
25  27  8
25  28  8
27  29  8
28  30  8
29  32  8
30  32  8
6  12  8
6  19  8
7  15  8
7  19  8

$$$$