21002925
  -OEChem-05112422512D

 41 43  0     0  0  0  0  0  0999 V2000
    7.2641   -3.6123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.8635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.1123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.8877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.3877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.8877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    3.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    3.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215   -0.5047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -1.1949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -1.1949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -0.5047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    0.9703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    0.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747    0.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762    0.9703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -2.0047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1860   -2.6949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -2.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -2.0297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.2330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    4.5423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    3.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -3.9223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    3.7206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    2.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    2.6681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    1.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 37  1  0  0  0  0
  2 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 12  2  0  0  0  0
  5 18  1  0  0  0  0
  6 15  1  0  0  0  0
  6 18  2  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  2  0  0  0  0
 16 34  1  0  0  0  0
 17 20  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21002925

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
323

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzsAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx8AAAHgAACAAADAzhngY39vcIFgCgAyZjZACCiCkxIqAJ2CA+bJiOfqLE+duUNChswBPY6CewwBAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-(6-methoxyquinazolin-4-yl)piperazin-1-yl]ethanol

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-(6-methoxy-4-quinazolinyl)-1-piperazinyl]ethanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-(6-methoxyquinazolin-4-yl)piperazin-1-yl]ethanol

> <PUBCHEM_IUPAC_NAME>
2-[4-(6-methoxyquinazolin-4-yl)piperazin-1-yl]ethanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-(6-methoxyquinazolin-4-yl)piperazin-1-yl]ethanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-(6-methoxyquinazolin-4-yl)piperazino]ethanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H20N4O2/c1-21-12-2-3-14-13(10-12)15(17-11-16-14)19-6-4-18(5-7-19)8-9-20/h2-3,10-11,20H,4-9H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KCHZVDOZWHNIIR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
288.15862589

> <PUBCHEM_MOLECULAR_FORMULA>
C15H20N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
288.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)CCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)CCO

> <PUBCHEM_CACTVS_TPSA>
61.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.15862589

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  13  8
13  15  8
13  16  8
15  17  8
16  19  8
17  20  8
19  20  8
5  12  8
5  18  8
6  15  8
6  18  8

$$$$