22997395
  -OEChem-04232416472D

 42 44  0     0  0  0  0  0  0999 V2000
   10.7282    2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8421   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.2196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    2.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    2.6441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    2.0265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 13  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  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 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  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 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 22  2  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 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
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22997395

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
404

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIAAAAADA6BnyYz9vcIFACgAyZiZACCiCkhJ6AJmCA+7piNLqLF+9uENCpuwBvK6Cew0BMOJEABAgACQABIgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethyl-quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethyl-4-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-chlorophenyl)-6,7-dimethoxy-<I>N</I>,<I>N</I>-dimethylquinazolin-4-amine

> <PUBCHEM_IUPAC_NAME>
2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethyl-quinazolin-4-amine

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H18ClN3O2/c1-22(2)18-13-9-15(23-3)16(24-4)10-14(13)20-17(21-18)11-5-7-12(19)8-6-11/h5-10H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
SMDWCAYUFFWXJR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
343.1087545

> <PUBCHEM_MOLECULAR_FORMULA>
C18H18ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
343.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
47.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.1087545

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  14  8
13  14  8
15  18  8
15  19  8
18  20  8
19  21  8
20  22  8
21  22  8
5  12  8
5  8  8
6  12  8
6  9  8
7  10  8
7  8  8
7  9  8
9  11  8

$$$$