52914827
  -OEChem-05042405422D

 62 66  0     0  0  0  0  0  0999 V2000
    2.8680    2.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    4.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -4.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    4.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    4.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0960    3.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3889    5.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3549    4.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    2.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    3.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    2.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    4.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -3.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    5.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -5.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2110    3.6232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9356    3.3802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6949    3.8186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5494    5.8027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7901    5.3643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9537    4.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5153    5.5439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    1.3205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    0.6303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747    0.6303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762    1.3205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215   -0.1544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -0.8447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -0.8447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -0.1544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.5833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    4.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -1.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -1.9521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -3.5721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -3.5721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    3.2486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    3.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    2.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    5.2597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    5.8821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    5.2645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541   -5.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -5.5721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741   -4.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 30  1  0  0  0  0
  2 24  1  0  0  0  0
  2 31  1  0  0  0  0
  3 29  1  0  0  0  0
  3 32  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 20  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 12  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 21 23  1  0  0  0  0
 21 48  1  0  0  0  0
 22 24  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  2  0  0  0  0
 25 27  1  0  0  0  0
 25 50  1  0  0  0  0
 26 28  2  0  0  0  0
 26 51  1  0  0  0  0
 27 29  2  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52914827

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
590

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAABgAAAAAAA8eIEAAAAAAACx9AAAHgAAAAAADQzBnwYz9vcIFACgAyZiZACCiCkhIqAJmCA+7JiNbqLE+duUNCpuwBvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
2-cyclobutyl-6,7-dimethoxy-4-[4-(4-methoxyphenyl)-1-piperazinyl]quinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-cyclobutyl-6,7-dimethoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline

> <PUBCHEM_IUPAC_NAME>
2-cyclobutyl-6,7-dimethoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H30N4O3/c1-30-19-9-7-18(8-10-19)28-11-13-29(14-12-28)25-20-15-22(31-2)23(32-3)16-21(20)26-24(27-25)17-5-4-6-17/h7-10,15-17H,4-6,11-14H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
QMNQEIUIXDQYDW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
434.23179083

> <PUBCHEM_MOLECULAR_FORMULA>
C25H30N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
434.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CCC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CCC5

> <PUBCHEM_CACTVS_TPSA>
60

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
434.23179083

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  18  8
18  19  8
18  21  8
19  22  8
20  25  8
20  26  8
21  23  8
22  24  8
23  24  8
25  27  8
26  28  8
27  29  8
28  29  8
6  12  8
6  13  8
7  12  8
7  19  8

$$$$