69375948
  -OEChem-05211322142D

 69 69  0     1  0  0  0  0  0999 V2000
    3.5492   10.0369    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3346    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0189   12.6692    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4094    6.5128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4094    8.5611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2812    2.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8793    5.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0133    7.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8793    8.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0133    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1473    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0133    5.0369    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1473    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1473    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2812    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8793    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7453    7.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5492    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7453    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6393    6.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0133    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6393    8.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5453    7.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5453    8.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1473    8.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2812    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1473    9.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152    8.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2812   10.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152    9.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4056    5.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4056    9.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2253    3.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6239    4.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9352    4.1195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5367    3.4293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0133    5.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3593    1.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7578    2.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4162    5.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4573    6.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    5.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8373    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8137    3.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    3.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4933    0.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8918    1.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1052    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8783    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2392    2.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0122    1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8592    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6321    5.8823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6321    9.1916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2812    7.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6842    9.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8783    8.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2812   10.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7856    5.5152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4032    4.8928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0256    5.5104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0256    9.5635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4032   10.1811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7856    9.5587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    6.3346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0189   12.6692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 68  1  0  0  0  0
  3 69  1  0  0  0  0
  4 25  1  0  0  0  0
  4 33  1  0  0  0  0
  5 26  1  0  0  0  0
  5 34  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
  7 42  1  0  0  0  0
  8 17  2  0  0  0  0
  8 23  1  0  0  0  0
  9 21  1  0  0  0  0
  9 23  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 20  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 19  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 55  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 56  1  0  0  0  0
 23 27  1  0  0  0  0
 24 26  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 58  1  0  0  0  0
 29 31  2  0  0  0  0
 29 59  1  0  0  0  0
 30 32  2  0  0  0  0
 30 60  1  0  0  0  0
 31 32  1  0  0  0  0
 31 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69375948

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
530

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAGAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIQAAAADC7BnyYz9vfIFACgAyZiZACCiCkhJ6AJmKA+7piNLqLF+9uENCpu0BvK6Cew0BMOJEABAgACQABIgAIEAASAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H33ClN4O2.2ClH/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);2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
LCAZZTQZMXFXQY-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
528.182559

> <PUBCHEM_MOLECULAR_FORMULA>
C25H35Cl3N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
529.93

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

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

> <PUBCHEM_CACTVS_TPSA>
59.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
528.182559

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  3
17  18  8
18  21  8
18  22  8
21  24  8
22  25  8
24  26  8
25  26  8
27  28  8
27  29  8
28  30  8
29  31  8
30  32  8
31  32  8
8  17  8
8  23  8
9  21  8
9  23  8

$$$$