70192762
  -OEChem-04232409232D

 36 38  0     0  0  0  0  0  0999 V2000
    4.6660   -1.0121    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    2.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    2.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    3.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.6667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    2.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -1.2021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -2.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -2.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.6079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.9986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.7684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.0777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    3.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    3.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    3.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 12  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  2  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  6 15  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  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
  8 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 25  1  0  0  0  0
 18 20  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  2  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 21 31  1  0  0  0  0
 21 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
M  END
> <PUBCHEM_COMPOUND_CID>
70192762

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
373

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIQAAAADA6BniIz1vZIFACgAyRiZACCiCkhJ6AJmCA27piNLqLF+9uENCpuwBtK6Cew0PMOIEABAgADQABAgAIEAAaAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(2-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine

> <PUBCHEM_IUPAC_NAME>
4-(2-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14ClN3O2/c1-21-13-7-10-12(8-14(13)22-2)19-16(18)20-15(10)9-5-3-4-6-11(9)17/h3-8H,1-2H3,(H2,18,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
ZOIVACSYOSVFAU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
315.0774544

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
315.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N)C3=CC=CC=C3Cl)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N)C3=CC=CC=C3Cl)OC

> <PUBCHEM_CACTVS_TPSA>
70.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
315.0774544

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  18  8
17  19  8
18  20  8
19  20  8
4  15  8
4  8  8
5  15  8
5  9  8
7  10  8
7  8  8
7  9  8
9  13  8

$$$$