70492175
  -OEChem-05032423082D

 49 51  0     0  0  0  0  0  0999 V2000
    8.0206   -4.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    0.8025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.3163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.8718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3233   -1.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4632   -0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1951   -0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4747    0.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2067    0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3118   -2.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1720   -2.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1604   -3.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8567   -1.5135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539   -0.5726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2444   -1.2675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4004   -1.2924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8069   -0.6068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2694    0.8976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8630    0.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8160    0.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4254    0.8727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7025   -2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0930   -2.7774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7813   -2.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3908   -2.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5511   -3.5925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9416   -4.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    3.6700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0134   -4.8371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.8741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.6471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.8002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    4.8371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    4.8371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 43  1  0  0  0  0
  2 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 14  2  0  0  0  0
  5 19  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70492175

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
377

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx8AAAHgAACAAADQzhngY39vcIFgCgAyZjZACCiCkxIqAB2CA+7JiNPqLE+NuEdCpuwBvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]propan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-1-propanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]propan-1-ol

> <PUBCHEM_IUPAC_NAME>
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]propan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]propan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]propan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H25N3O3/c1-23-16-10-14-15(11-17(16)24-2)19-12-20-18(14)21-7-5-13(6-8-21)4-3-9-22/h10-13,22H,3-9H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
MRRWKFFNFDGTDM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
331.18959167

> <PUBCHEM_MOLECULAR_FORMULA>
C18H25N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
331.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)CCCO)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)CCCO)OC

> <PUBCHEM_CACTVS_TPSA>
67.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
331.18959167

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
14  16  8
16  17  8
16  18  8
17  20  8
18  21  8
20  22  8
21  22  8
5  14  8
5  19  8
6  17  8
6  19  8

$$$$