60233478
  -OEChem-04192420032D

 45 47  0     1  0  0  0  0  0999 V2000
   11.5942    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.1192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.9050    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3981    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8622    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4728    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0742    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947    2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976    2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9181    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5195    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3297   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1267   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1312    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.7496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8611   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    1.9268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    2.5491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    1.9315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.0844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.3146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 35  1  0  0  0  0
  2 20  1  0  0  0  0
  2 22  1  0  0  0  0
  3 21  1  0  0  0  0
  3 23  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 14  2  0  0  0  0
  5 15  1  0  0  0  0
  6 14  1  0  0  0  0
  6 17  2  0  0  0  0
  7 17  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  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 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60233478

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
386

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx8AAAHgAQCAAADQzhngYz9vdIFgCgAyZiZACCiCkhIqABmCA+7JiNPqLE+NuEdCpuwBvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-3-piperidyl]methanol

> <PUBCHEM_IUPAC_CAS_NAME>
[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-3-piperidinyl]methanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl]methanol

> <PUBCHEM_IUPAC_NAME>
[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl]methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-3-yl]methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-3-piperidyl]methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H22N4O3/c1-22-13-6-11-12(7-14(13)23-2)18-16(19-15(11)17)20-5-3-4-10(8-20)9-21/h6-7,10,21H,3-5,8-9H2,1-2H3,(H2,17,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
OIAJBKJKKIQMNX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
318.16919058

> <PUBCHEM_MOLECULAR_FORMULA>
C16H22N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
318.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC(C3)CO)N)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC(C3)CO)N)OC

> <PUBCHEM_CACTVS_TPSA>
93.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
318.16919058

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
15  16  8
15  18  8
16  17  8
16  19  8
18  20  8
19  21  8
20  21  8
5  14  8
5  15  8
6  14  8
6  17  8
8  13  3

$$$$