71542892
  -OEChem-04252407212D

 43 46  0     0  0  0  0  0  0999 V2000
    2.0000    2.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981   -2.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.0121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.5121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    2.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    2.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901   -0.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901   -2.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981   -3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067    1.8803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082    2.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082    0.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067    1.0956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9286    2.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1316    2.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    3.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -0.1667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829    0.1425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829   -3.1667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7319   -0.6792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7319   -2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238    3.5097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    4.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839    3.5145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1781   -3.5121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981   -4.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4181   -3.5121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 23  1  0  0  0  0
  2 19  1  0  0  0  0
  2 24  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 11  2  0  0  0  0
  4 19  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 31  1  0  0  0  0
 13 16  2  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 16  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71542892

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
421

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAAAAAADAzBngYz9vcIFACgAyZiZACCiCkhIqAJmCA+bJiMLuLE+duENChswBPI6CewwLAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline

> <PUBCHEM_IUPAC_CAS_NAME>
2-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-methoxy-4-(6-methoxy-3,4-dihydro-2<I>H</I>-quinolin-1-yl)quinazoline

> <PUBCHEM_IUPAC_NAME>
2-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19N3O2/c1-23-14-9-10-17-13(12-14)6-5-11-22(17)18-15-7-3-4-8-16(15)20-19(21-18)24-2/h3-4,7-10,12H,5-6,11H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
JYCJQEBNPFKIDQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
321.147726857

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
321.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)N(CCC2)C3=NC(=NC4=CC=CC=C43)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)N(CCC2)C3=NC(=NC4=CC=CC=C43)OC

> <PUBCHEM_CACTVS_TPSA>
47.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
321.147726857

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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
11  14  8
12  15  8
13  16  8
14  17  8
14  18  8
15  16  8
17  20  8
18  21  8
20  22  8
21  22  8
4  11  8
4  19  8
5  17  8
5  19  8
9  10  8
9  12  8

$$$$