18770784
  -OEChem-05102418212D

 39 41  0     0  0  0  0  0  0999 V2000
    8.0437   -3.5272    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465   -0.5074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    2.5619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2067   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4747   -0.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1951   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0784   -0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553   -2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9386   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9270   -2.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1710   -0.4569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9342   -1.3011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7785   -1.5378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6546   -2.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0856    0.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    2.3601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4791   -0.7336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4604   -2.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.5272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.5272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 22  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  2  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
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 16 29  1  0  0  0  0
 17 20  2  0  0  0  0
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 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18770784

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
387

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIAAAAADA6BniY39vcIFACgAyZjZACCiCkxJ6AJ2CA+7piNLuLF+9uENCpuwBvK6Cew0BMOIEABAgICQABAgAIEBASAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H16ClN3O2/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

> <PUBCHEM_IUPAC_INCHIKEY>
PTUPCFNKXDILSA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
329.0931045

> <PUBCHEM_MOLECULAR_FORMULA>
C17H16ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
329.8

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

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

> <PUBCHEM_CACTVS_TPSA>
47.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
329.0931045

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  16  8
11  17  8
12  14  8
13  14  8
16  19  8
17  20  8
19  21  8
20  21  8
5  18  8
5  8  8
6  18  8
6  9  8
7  10  8
7  8  8
7  9  8
9  13  8

$$$$