69529142
  -OEChem-05052415022D

 30 31  0     0  0  0  0  0  0999 V2000
    2.0000   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4 12  1  0  0  0  0
  4 16  2  0  0  0  0
  5 15  2  0  0  0  0
  5 16  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 14  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69529142

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
231

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgIAAAAADA/hnkY/1vYIFACgAzRnZACCiCkxIqAB2CA+7piNLqLE+duGPCruwBtK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-(3-chloropropoxy)-7-methoxy-quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
6-(3-chloropropoxy)-7-methoxyquinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-(3-chloropropoxy)-7-methoxyquinazoline

> <PUBCHEM_IUPAC_NAME>
6-(3-chloropropoxy)-7-methoxyquinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-(3-chloranylpropoxy)-7-methoxy-quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-(3-chloropropoxy)-7-methoxy-quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H13ClN2O2/c1-16-11-6-10-9(7-14-8-15-10)5-12(11)17-4-2-3-13/h5-8H,2-4H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
LXNJLJMMGYKESH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
252.0665554

> <PUBCHEM_MOLECULAR_FORMULA>
C12H13ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
252.69

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C=NC=NC2=C1)OCCCCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C=NC=NC2=C1)OCCCCl

> <PUBCHEM_CACTVS_TPSA>
44.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
252.0665554

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  13  8
12  13  8
4  12  8
4  16  8
5  15  8
5  16  8
6  10  8
6  11  8
9  11  8
9  12  8
9  15  8

$$$$