69897714
  -OEChem-05072408512D

 41 44  0     1  0  0  0  0  0999 V2000
    5.5022   -0.4753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -2.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.9824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0106    0.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0221   -2.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -0.9891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -0.9891    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5961   -2.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0221   -0.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8707    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -2.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8592    2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7425    0.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7194    2.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6027    1.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5911    2.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5997   -0.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9853   -1.9246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3871   -2.6144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1324   -0.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3353   -0.0093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.1101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -3.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701    0.8285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4639   -2.3428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121    0.0566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.1670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -1.0148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3187    2.3384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7497   -0.0752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7122    3.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1432    0.7509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 32  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  2  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 15 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69897714

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
405

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8aIEAAAAAAACx9AAAHgAQAAAADByhngY39vbIFACgAyZjZACCiCkxIqAJ2CA+7JiNLuLE+duGPCrv0BvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-(methoxymethyl)-N-phenyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
7-(methoxymethyl)-N-phenyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-(methoxymethyl)-<I>N</I>-phenyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine

> <PUBCHEM_IUPAC_NAME>
7-(methoxymethyl)-N-phenyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-(methoxymethyl)-N-phenyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[7-(methoxymethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl]-phenyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17N3O3/c1-22-9-13-10-23-16-8-15-14(7-17(16)24-13)18(20-11-19-15)21-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3,(H,19,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
GQEGZEBUSNEQLH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
323.12699141

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
323.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCC1COC2=C(O1)C=C3C(=C2)N=CN=C3NC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCC1COC2=C(O1)C=C3C(=C2)N=CN=C3NC4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
65.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.12699141

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
10  15  8
12  13  8
12  14  8
12  16  8
14  15  8
17  20  8
17  21  8
20  22  8
21  23  8
22  24  8
23  24  8
5  14  8
5  18  8
6  16  8
6  18  8
7  11  3
9  10  8
9  13  8

$$$$