18770783
  -OEChem-05142404032D

 41 42  0     0  0  0  0  0  0999 V2000
    6.5807    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5080    9.6911    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8834    3.0198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    4.5336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    6.0891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    4.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436    2.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117    2.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6154    2.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    5.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5922    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4755    2.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4640    1.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.4344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7079    3.0704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4712    2.2261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.9894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1916    1.2061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6225    3.6198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368    5.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0160    2.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9973    1.1737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    5.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    4.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    7.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    7.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    9.6911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 41  1  0  0  0  0
  3 13  1  0  0  0  0
  3 23  1  0  0  0  0
  4 15  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  2  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18770783

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
387

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAGAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIAAAAADA6BniY39vcIFACgAyZjZACCiCkxJ6AJ2CA+7piNLuLF+9uENCpuwBvK6Cew0BMOIEABAgICQABAgAIEBASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3-chlorophenyl)-6,7-dimethoxy-N-methyl-quinazolin-4-amine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-chlorophenyl)-6,7-dimethoxy-N-methyl-4-quinazolinamine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3-chlorophenyl)-6,7-dimethoxy-<I>N</I>-methylquinazolin-4-amine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
N-(3-chlorophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-chlorophenyl)-6,7-dimethoxy-N-methyl-quinazolin-4-amine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-chlorophenyl)-(6,7-dimethoxyquinazolin-4-yl)-methyl-amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H16ClN3O2.ClH/c1-21(12-6-4-5-11(18)7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17;/h4-10H,1-3H3;1H

> <PUBCHEM_IUPAC_INCHIKEY>
HJAAVYKVKNFYNJ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
365.0697822

> <PUBCHEM_MOLECULAR_FORMULA>
C17H17Cl2N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
366.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C1=CC(=CC=C1)Cl)C2=NC=NC3=CC(=C(C=C32)OC)OC.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C1=CC(=CC=C1)Cl)C2=NC=NC3=CC(=C(C=C32)OC)OC.Cl

> <PUBCHEM_CACTVS_TPSA>
47.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
365.0697822

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  13  8
12  17  8
12  18  8
13  15  8
14  15  8
17  20  8
18  21  8
20  22  8
21  22  8
6  19  8
6  9  8
7  10  8
7  19  8
8  10  8
8  11  8
8  9  8

$$$$