53245571
  -OEChem-05072411502D

 65 69  0     0  0  0  0  0  0999 V2000
    4.6660   -2.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.3746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    3.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.6012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0437    2.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2346    4.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128    3.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2128    4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    3.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    4.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1626    2.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7337    2.4551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5453    2.6276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1698    5.0099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6146    4.3933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1277    3.2744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2144    4.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7792    4.8534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0212    5.1909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    0.4814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215   -0.2089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -0.2089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762    0.4814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215   -0.9936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -1.6838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -1.6838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -0.9936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    4.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -2.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -5.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4900   -2.5643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -3.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100   -3.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    2.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    2.1792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    1.3332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    4.4205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    5.0429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    4.4253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  1 31  1  0  0  0  0
  2 24  1  0  0  0  0
  2 32  1  0  0  0  0
  3 26  1  0  0  0  0
  3 33  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  2  0  0  0  0
  7 13  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 14 17  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 18  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 19  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 21 25  1  0  0  0  0
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 27 29  1  0  0  0  0
 27 53  1  0  0  0  0
 28 30  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  2  0  0  0  0
 29 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
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53245571

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
610

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAAAAAAAAAAAAAAAAAAAYAAAAA8eIEAAAAAAACx9AAAHgAAAAAADQzBnwYz9vcIFACgAyZiZACCiCkhIqAJmCA/7JiPbqLE+duVNCpuwBva6Cew0BMOIEABAgACUABAgAIEAASgAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H32N4O3/c1-31-22-11-7-6-10-21(22)29-12-14-30(15-13-29)26-19-16-23(32-2)24(33-3)17-20(19)27-25(28-26)18-8-4-5-9-18/h6-7,10-11,16-18H,4-5,8-9,12-15H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
VEWIAFHMDFXVFL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
448.24744090

> <PUBCHEM_MOLECULAR_FORMULA>
C26H32N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
448.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CCCC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CCCC5

> <PUBCHEM_CACTVS_TPSA>
60

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
448.24744090

> <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>
16  19  8
19  20  8
19  22  8
20  23  8
21  25  8
21  27  8
22  24  8
23  26  8
24  26  8
25  28  8
27  29  8
28  30  8
29  30  8
6  13  8
6  16  8
7  13  8
7  20  8

$$$$