69667149
  -OEChem-04182405072D

 58 61  0     1  0  0  0  0  0999 V2000
   10.6418   -5.0272    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3853   -4.0473    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0272    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.9561    1.0619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -2.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.4936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5272    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    2.5272    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    2.5272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    3.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8047   -2.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7932   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6765   -2.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6534   -4.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5367   -2.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5251   -3.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    3.4196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    4.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.5642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.4903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.5642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.7172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.4903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    5.0272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    5.0272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041   -2.3112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    0.8601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -1.9728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -1.9728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2527   -3.8211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6837   -1.4074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0772   -2.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 32  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 15  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  0  0  0  0
  7 21  1  0  0  0  0
  7 25  2  0  0  0  0
  8 24  1  0  0  0  0
  8 27  1  0  0  0  0
  8 51  1  0  0  0  0
  9 24  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 33  1  0  0  0  0
 11 16  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  6  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 50  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 56  1  0  0  0  0
 29 31  2  0  0  0  0
 29 57  1  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 31 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69667149

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
606

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAGAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgIQAAAADD7hniY39vfIFACgAyZjZACCiCkxJ6AJ2mA+7piPLuLF+9uHPCru0Bva6Cew0BMOIEBBAgICQARAgIIEBASACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3,4-dichlorophenyl)-6-methoxy-7-[[(2R)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3,4-dichlorophenyl)-6-methoxy-7-[[(2R)-4,5,6-trimethyl-2-morpholinyl]methoxy]-4-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3,4-dichlorophenyl)-6-methoxy-7-[[(2<I>R</I>)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine

> <PUBCHEM_IUPAC_NAME>
N-(3,4-dichlorophenyl)-6-methoxy-7-[[(2R)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3,4-dichlorophenyl)-6-methoxy-7-[[(2R)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3,4-dichlorophenyl)-[6-methoxy-7-[[(2R)-4,5,6-trimethylmorpholin-2-yl]methoxy]quinazolin-4-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H26Cl2N4O3/c1-13-14(2)32-16(10-29(13)3)11-31-22-9-20-17(8-21(22)30-4)23(27-12-26-20)28-15-5-6-18(24)19(25)7-15/h5-9,12-14,16H,10-11H2,1-4H3,(H,26,27,28)/t13?,14?,16-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
AKMHKNCWEXBULW-ZBCRRDGASA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
476.1381961

> <PUBCHEM_MOLECULAR_FORMULA>
C23H26Cl2N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
477.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(OC(CN1C)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)Cl)Cl)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C(O[C@H](CN1C)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)Cl)Cl)OC)C

> <PUBCHEM_CACTVS_TPSA>
68.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
476.1381961

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
10  14  3
11  16  3
12  15  6
18  19  8
18  20  8
19  23  8
20  21  8
21  22  8
22  23  8
22  24  8
27  28  8
27  29  8
28  30  8
29  31  8
30  32  8
31  32  8
7  21  8
7  25  8
9  24  8
9  25  8

$$$$