59361926
  -OEChem-04192421002D

 55 58  0     0  0  0  0  0  0999 V2000
    7.2506   -1.2346    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7205   -0.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5807    1.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7205    1.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2506    1.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1166    0.2654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3846    0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3846    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846    0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4906   -0.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4906    1.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1166    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9826    1.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2506   -0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8487    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7147    1.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9826    2.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4468    1.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7147    2.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8487    3.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3128    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3128    0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1788    1.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243    2.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1788   -0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0448    1.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0448    0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978   -0.8892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    2.4200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8487    0.6454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4457    3.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9386   -1.8405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345   -1.1487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8453    2.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0482    2.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2516    3.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8487    3.8854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6459   -1.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501   -1.8721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7758   -0.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1788    2.3854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3443    2.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7267    3.4095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1043    2.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1788   -0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5818    1.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5818   -0.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -2.7297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.5775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -3.8011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  1  0  0  0  0
  4 28  1  0  0  0  0
  5 25  1  0  0  0  0
  5 32  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  2  0  0  0  0
  7 14  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 16  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 19 36  1  0  0  0  0
 20 25  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 24  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 29  1  0  0  0  0
 26 45  1  0  0  0  0
 27 30  2  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
 29 31  2  0  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59361926

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
550

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAEAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgIAAAAADA6hnyIz1vYIFACgAyZiZACCiCkhJqAJmCA27piNLqLF+9uGPCruwBvK6Cew0DMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3-benzyloxyphenyl)-4-chloro-7-methoxy-6-(2-methoxyethoxy)quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-chloro-7-methoxy-6-(2-methoxyethoxy)-2-(3-phenylmethoxyphenyl)quinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-chloro-7-methoxy-6-(2-methoxyethoxy)-2-(3-phenylmethoxyphenyl)quinazoline

> <PUBCHEM_IUPAC_NAME>
4-chloro-7-methoxy-6-(2-methoxyethoxy)-2-(3-phenylmethoxyphenyl)quinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-chloranyl-7-methoxy-6-(2-methoxyethoxy)-2-(3-phenylmethoxyphenyl)quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3-benzoxyphenyl)-4-chloro-7-methoxy-6-(2-methoxyethoxy)quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H23ClN2O4/c1-29-11-12-31-23-14-20-21(15-22(23)30-2)27-25(28-24(20)26)18-9-6-10-19(13-18)32-16-17-7-4-3-5-8-17/h3-10,13-15H,11-12,16H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZJCZDZCANWGPDD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
450.1346349

> <PUBCHEM_MOLECULAR_FORMULA>
C25H23ClN2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
450.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCOC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4)Cl)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCOC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4)Cl)OC

> <PUBCHEM_CACTVS_TPSA>
62.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
450.1346349

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
10  11  8
10  12  8
12  13  8
15  17  8
15  19  8
17  18  8
18  22  8
19  23  8
22  23  8
24  26  8
24  27  8
26  29  8
27  30  8
29  31  8
30  31  8
6  14  8
6  9  8
7  14  8
7  16  8
8  11  8
8  16  8
8  9  8
9  13  8

$$$$