70140532
  -OEChem-04232416312D

 62 63  0     0  0  0  0  0  0999 V2000
    7.4584    0.6400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9222    0.5999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6694   13.7381    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6694   11.2233    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9454    2.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.1744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4931    5.7091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4815    2.6398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3991    4.1536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    4.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    3.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4931    3.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3991    5.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417    2.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2134    2.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301    1.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0736    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1903    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0620    1.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8055    2.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.5544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    8.0668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    8.7571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    6.1995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    6.1995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    9.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    9.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    7.2821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    6.5918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    6.5668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    7.2571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    9.2114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    8.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.2944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    3.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9410    2.3361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9349    5.5073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3810    2.6745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210    2.6745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2206    3.2398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1831    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4894    1.5565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3389    1.7736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1217    2.6231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6694   13.7381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6694   11.2233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 33  1  0  0  0  0
  3 61  1  0  0  0  0
  4 62  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 27  1  0  0  0  0
  7 31  1  0  0  0  0
  7 34  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 22  1  0  0  0  0
  9 26  2  0  0  0  0
 10 25  1  0  0  0  0
 10 28  1  0  0  0  0
 10 51  1  0  0  0  0
 11 25  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 24  1  0  0  0  0
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 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 25  1  0  0  0  0
 24 50  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 56  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 32 57  1  0  0  0  0
 34 58  1  0  0  0  0
 34 59  1  0  0  0  0
 34 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70140532

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
583

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAHAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgIQAAAADQ7hniY39vfIFACgAyZjZACCiCkxJ+AB2CA+75iNLuPF+tvGPCru0BvK6Cew0BMOIGBBAgCCSBBAwIIEAQSQIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,4-dichloro-5-methoxy-phenyl)-6-methoxy-7-[(1-methyl-4-piperidyl)methoxy]quinazolin-4-amine;dihydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinamine;dihydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;dihydrochloride

> <PUBCHEM_IUPAC_NAME>
N-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;dihydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2,4-bis(chloranyl)-5-methoxy-phenyl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine;dihydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2,4-dichloro-5-methoxy-phenyl)-[6-methoxy-7-[(1-methyl-4-piperidyl)methoxy]quinazolin-4-yl]amine;dihydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H26Cl2N4O3.2ClH/c1-29-6-4-14(5-7-29)12-32-22-10-18-15(8-21(22)31-3)23(27-13-26-18)28-19-11-20(30-2)17(25)9-16(19)24;;/h8-11,13-14H,4-7,12H2,1-3H3,(H,26,27,28);2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
DPNNSXXRVMWGAH-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
550.088601

> <PUBCHEM_MOLECULAR_FORMULA>
C23H28Cl4N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
550.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4Cl)Cl)OC)OC.Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4Cl)Cl)OC)OC.Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
68.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
548.091552

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  25  8
11  26  8
19  20  8
19  21  8
20  24  8
21  22  8
22  23  8
23  24  8
23  25  8
28  29  8
28  30  8
29  31  8
30  32  8
31  33  8
32  33  8
9  22  8
9  26  8

$$$$