57119353
  -OEChem-04232423242D

 65 67  0     1  0  0  0  0  0999 V2000
   10.7282    4.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    3.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.2500    0.0000 N   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
    7.2641   -0.2500    0.0000 C   0  0  3  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
    8.1301    0.2500    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
    9.8622   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2500    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
    9.8622   -4.7500    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
    5.5320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.2153    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
    4.6381    3.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7708    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
    8.1301    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.7500    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
    9.8622    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    4.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0520   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7407   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5195   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9181   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8611   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4401   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8201    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3856   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7841   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2607   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4636   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5522   -5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1722   -4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4182   -3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0382   -2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.5954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    2.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    2.0304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    1.1844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    4.2718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    4.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    4.2765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 23  1  0  0  0  0
  2 31  1  0  0  0  0
  3 24  1  0  0  0  0
  3 32  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 40  1  0  0  0  0
  6 15  2  0  0  0  0
  6 21  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 17  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 18  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 54  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 55  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  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
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57119353

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
530

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIQAAAADC7BnyYz9vfIFACgAyZiZACCiCkhJ6AJmKA+7piNLqLF+9uENCpu0BvK6Cew0BMOJEABAgACQABIgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N4-[2-(4-chlorophenyl)-6,7-dimethoxy-quinazolin-4-yl]-N1,N1-diethyl-pentane-1,4-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
N4-[2-(4-chlorophenyl)-6,7-dimethoxy-4-quinazolinyl]-N1,N1-diethylpentane-1,4-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-<I>N</I>-[2-(4-chlorophenyl)-6,7-dimethoxyquinazolin-4-yl]-1-<I>N</I>,1-<I>N</I>-diethylpentane-1,4-diamine

> <PUBCHEM_IUPAC_NAME>
4-N-[2-(4-chlorophenyl)-6,7-dimethoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N4-[2-(4-chlorophenyl)-6,7-dimethoxy-quinazolin-4-yl]-N1,N1-diethyl-pentane-1,4-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[[2-(4-chlorophenyl)-6,7-dimethoxy-quinazolin-4-yl]amino]pentyl-diethyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H33ClN4O2/c1-6-30(7-2)14-8-9-17(3)27-25-20-15-22(31-4)23(32-5)16-21(20)28-24(29-25)18-10-12-19(26)13-11-18/h10-13,15-17H,6-9,14H2,1-5H3,(H,27,28,29)

> <PUBCHEM_IUPAC_INCHIKEY>
PSHKWCVSBMCBSQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6

> <PUBCHEM_EXACT_MASS>
456.2292040

> <PUBCHEM_MOLECULAR_FORMULA>
C25H33ClN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
457.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)CCCC(C)NC1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)CCCC(C)NC1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
59.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
456.2292040

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
15  16  8
16  19  8
16  20  8
19  22  8
20  23  8
22  24  8
23  24  8
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8
6  15  8
6  21  8
7  19  8
7  21  8
9  12  3

$$$$