69150168
  -OEChem-05072406542D

 60 62  0     1  0  0  0  0  0999 V2000
    2.8680   -0.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.1301   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0520   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7407   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8421   -2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6862   -5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3062   -4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541   -4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741   -5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.7606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.5304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    2.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    3.3941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    2.7765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 24  1  0  0  0  0
  2 20  1  0  0  0  0
  2 25  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 10  2  0  0  0  0
  5 19  1  0  0  0  0
  6 13  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 20  1  0  0  0  0
 17 47  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  3  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 28  1  0  0  0  0
 26 56  1  0  0  0  0
 27 29  2  0  0  0  0
 27 57  1  0  0  0  0
 28 30  2  0  0  0  0
 28 58  1  0  0  0  0
 29 30  1  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69150168

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
523

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAAAAAADAzBnwYz9vcIFACgAyZiZACCiCkhIqAJmCA+7JiNLqLE+duENCpuwBvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-(6,7-dimethoxy-2-styryl-quinazolin-4-yl)-N,N,N'-trimethyl-propane-1,3-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
N'-[6,7-dimethoxy-2-(2-phenylethenyl)-4-quinazolinyl]-N,N,N'-trimethylpropane-1,3-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-[6,7-dimethoxy-2-(2-phenylethenyl)quinazolin-4-yl]-<I>N</I>,<I>N</I>,<I>N</I>&apos;-trimethylpropane-1,3-diamine

> <PUBCHEM_IUPAC_NAME>
N'-[6,7-dimethoxy-2-(2-phenylethenyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-[6,7-dimethoxy-2-(2-phenylethenyl)quinazolin-4-yl]-N,N,N'-trimethyl-propane-1,3-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6,7-dimethoxy-2-styryl-quinazolin-4-yl)-[3-(dimethylamino)propyl]-methyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H30N4O2/c1-27(2)14-9-15-28(3)24-19-16-21(29-4)22(30-5)17-20(19)25-23(26-24)13-12-18-10-7-6-8-11-18/h6-8,10-13,16-17H,9,14-15H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
IBHMQWMPFWMAQZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
406.23687621

> <PUBCHEM_MOLECULAR_FORMULA>
C24H30N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
406.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CCCN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C=CC3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)CCCN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C=CC3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
50.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
406.23687621

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <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
11  13  8
11  14  8
13  17  8
14  18  8
17  20  8
18  20  8
21  22  1
23  26  8
23  27  8
26  28  8
27  29  8
28  30  8
29  30  8
5  10  8
5  19  8
6  13  8
6  19  8

$$$$