71542895
  -OEChem-05122420122D

 47 50  0     0  0  0  0  0  0999 V2000
    8.1962   -2.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.0121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.5121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.5121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -2.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894   -1.8803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5880   -2.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5880   -0.4053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894   -1.0956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675   -2.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646   -2.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -3.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    0.1667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.1425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.1667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.6792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    3.5121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    4.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    3.5121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541    1.4751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    1.7021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741    2.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5723   -3.5097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1899   -4.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8123   -3.5145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 25  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  3 18  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  2  0  0  0  0
  5 18  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  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 32  1  0  0  0  0
 13 16  2  0  0  0  0
 13 33  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  1  0  0  0  0
 16 34  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71542895

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
445

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAAAAAADAzBngYz9vcIFACgAyZiZACCiCkhIqAJmCA+bJiMLuLE+duENChswBPI6CewwLAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyl-quinazolin-2-amine

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

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

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyl-quinazolin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazolin-2-yl]-dimethyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H22N4O/c1-23(2)20-21-17-9-5-4-8-16(17)19(22-20)24-12-6-7-14-13-15(25-3)10-11-18(14)24/h4-5,8-11,13H,6-7,12H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
NWCWAGJWXUABET-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
334.17936134

> <PUBCHEM_MOLECULAR_FORMULA>
C20H22N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
334.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=NC2=CC=CC=C2C(=N1)N3CCCC4=C3C=CC(=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=NC2=CC=CC=C2C(=N1)N3CCCC4=C3C=CC(=C4)OC

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.17936134

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  19  8
15  16  8
17  20  8
19  21  8
20  22  8
21  22  8
3  11  8
3  18  8
4  17  8
4  18  8
9  10  8
9  12  8

$$$$