56593284
  -OEChem-05251302072D

 62 66  0     0  0  0  0  0  0999 V2000
    2.8660   -2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    3.0911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    4.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    4.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3580    3.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -4.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    4.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4649    3.9065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584    5.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4737    5.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    3.1747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5200    0.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.5407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.3254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -2.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.3254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    0.4124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    3.7216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.8961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3041    1.0014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5343    1.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6882    2.0776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7443    4.0935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1220    4.7111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5044    4.0887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 30  1  0  0  0  0
  2 23  1  0  0  0  0
  2 31  1  0  0  0  0
  3 25  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 12  1  0  0  0  0
  5 13  2  0  0  0  0
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  6 17  1  0  0  0  0
  6 20  1  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 11  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  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 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 17  1  0  0  0  0
 15 40  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
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 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
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 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
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 20 26  2  0  0  0  0
 21 23  1  0  0  0  0
 21 48  1  0  0  0  0
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 26 50  1  0  0  0  0
 27 29  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  2  0  0  0  0
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 29 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>
56593284

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
598

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAGAAAAAAAAAA8eIEAAAAAAACx9AAAHgAAAAAADQzBnwYz9vcIFACgAyZiZACCiCkhIqAJmCA/7JiPbqLE+duVNCpuwBva6Cew0BMOIEABAgACUABAgAIEAASgAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H30N4O3/c1-30-21-7-5-4-6-20(21)28-10-12-29(13-11-28)25-18-15-22(31-2)23(32-3)16-19(18)26-24(27-25)14-17-8-9-17/h4-7,15-17H,8-14H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
PHMXYMYAVOVEDU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
434.231791

> <PUBCHEM_MOLECULAR_FORMULA>
C25H30N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
434.5307

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)CC5CC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)CC5CC5

> <PUBCHEM_CACTVS_TPSA>
60

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
434.231791

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  18  8
18  19  8
18  21  8
19  22  8
20  24  8
20  26  8
21  23  8
22  25  8
23  25  8
24  27  8
26  28  8
27  29  8
28  29  8
5  12  8
5  13  8
7  12  8
7  19  8

$$$$