60291667
  -OEChem-05201322362D

 49 52  0     1  0  0  0  0  0999 V2000
    4.5981    1.9050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -2.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -2.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904    0.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904   -3.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    0.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -3.2496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6104    0.4315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9880    1.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3704    0.4268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3704   -3.6168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9880   -4.2391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6104   -3.6215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 25  1  0  0  0  0
  3 27  1  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  2  0  0  0  0
  6 17  1  0  0  0  0
  7 14  1  0  0  0  0
  7 19  2  0  0  0  0
  8 19  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  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 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  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 16  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 37  1  0  0  0  0
 21 24  2  0  0  0  0
 21 38  1  0  0  0  0
 22 25  1  0  0  0  0
 22 39  1  0  0  0  0
 23 26  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  2  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60291667

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
516

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgIQAAAADB7hniYz9vdIFACgAyZiZACCiCkhJ6AJmCA+7piPLqLF+9uHNCpuwBva6Cew0LMOIEABAgADQABAgAIEAAaAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[2-(2-chlorophenyl)morpholin-4-yl]-6,7-dimethoxy-quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
2-[2-(2-chlorophenyl)-4-morpholinyl]-6,7-dimethoxy-4-quinazolinamine

> <PUBCHEM_IUPAC_NAME>
2-[2-(2-chlorophenyl)morpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-(2-chlorophenyl)morpholin-4-yl]-6,7-dimethoxy-quinazolin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-[2-(2-chlorophenyl)morpholino]-6,7-dimethoxy-quinazolin-4-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H21ClN4O3/c1-26-16-9-13-15(10-17(16)27-2)23-20(24-19(13)22)25-7-8-28-18(11-25)12-5-3-4-6-14(12)21/h3-6,9-10,18H,7-8,11H2,1-2H3,(H2,22,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
BFJFDEVXYWANEL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
400.130218

> <PUBCHEM_MOLECULAR_FORMULA>
C20H21ClN4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
400.85874

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOC(C3)C4=CC=CC=C4Cl)N)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOC(C3)C4=CC=CC=C4Cl)N)OC

> <PUBCHEM_CACTVS_TPSA>
82.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
400.130218

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
13  16  8
15  20  8
16  21  8
17  18  8
17  22  8
18  19  8
18  23  8
20  24  8
21  24  8
22  25  8
23  26  8
25  26  8
6  14  8
6  17  8
7  14  8
7  19  8
9  13  3

$$$$