
 5-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-hydroxybenzoic acid

 42 45  0  0  0  0  0  0  0  0999 V2000
   -1.2205    2.3608    1.8093 C   0  0  0  0  0
   -0.6058    1.1766    2.1985 C   0  0  0  0  0
    0.6788    0.8725    1.7371 C   0  0  0  0  0
    1.3796    1.7379    0.8728 C   0  0  0  0  0
    0.7155    2.9079    0.4635 C   0  0  0  0  0
   -0.5610    3.2262    0.9414 C   0  0  0  0  0
    2.7278    1.3591    0.3799 C   0  0  0  0  0
    2.8094    0.0491    0.0528 N   0  0  0  0  0
    3.9546   -0.4279   -0.4339 C   0  0  0  0  0
    5.0438    0.3248   -0.6095 N   0  0  0  0  0
    4.9726    1.6195   -0.2961 C   0  0  0  0  0
    3.8267    2.2242    0.2403 C   0  0  0  0  0
    3.8822    3.6006    0.5954 C   0  0  0  0  0
    5.0265    4.3548    0.3508 C   0  0  0  0  0
    6.1402    3.7576   -0.2173 C   0  0  0  0  0
    6.1034    2.3949   -0.5209 C   0  0  0  0  0
    5.0567    6.0268    0.7473 Cl  0  0  0  0  0
    4.0892   -1.7728   -0.7732 N   0  0  0  0  0
    3.1435   -2.7269   -1.1738 C   0  0  0  0  0
    1.7800   -2.4495   -1.3175 C   0  0  0  0  0
    0.8650   -3.4426   -1.7085 C   0  0  0  0  0
    1.3175   -4.7448   -1.9280 C   0  0  0  0  0
    2.6639   -5.0531   -1.7498 C   0  0  0  0  0
    3.5646   -4.0503   -1.3682 C   0  0  0  0  0
    0.4590   -5.7198   -2.3455 O   0  0  0  0  0
   -0.5680   -3.0919   -1.8543 C   0  0  0  0  0
   -1.5381   -3.7940   -1.6358 O   0  0  0  0  0
   -0.7191   -1.8210   -2.2871 O   0  0  0  0  0
   -2.2174    2.6009    2.1687 H   0  0  0  0  0
   -1.1238    0.4803    2.8546 H   0  0  0  0  0
    1.1338   -0.0678    2.0467 H   0  0  0  0  0
    1.1738    3.5834   -0.2543 H   0  0  0  0  0
   -1.0472    4.1452    0.6209 H   0  0  0  0  0
    3.0339    4.0856    1.0700 H   0  0  0  0  0
    7.0398    4.3320   -0.4190 H   0  0  0  0  0
    6.9864    1.9255   -0.9516 H   0  0  0  0  0
    5.0381   -1.9362   -1.0807 H   0  0  0  0  0
    1.4033   -1.4445   -1.1459 H   0  0  0  0  0
    3.0375   -6.0607   -1.9072 H   0  0  0  0  0
    4.6101   -4.3155   -1.2249 H   0  0  0  0  0
    0.9183   -6.5738   -2.3800 H   0  0  0  0  0
   -1.6910   -1.7127   -2.3347 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 36  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 39  1  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 42  1  0  0  0
M  END

>  <Chemical Name>
5-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-hydroxybenzoic acid

>  <PubChem CID>
7195529

>  <Formula>
C21H14ClN3O3

>  <Molecular Weight>
391.811000

>  <IUPAC Name>
5-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-hydroxybenzoic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)NC4=CC(=C(C=C4)O)C(=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)NC4=CC(=C(C=C4)O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H14ClN3O3/c22-13-6-8-17-15(10-13)19(12-4-2-1-3-5-12)25-21(24-17)23-14-7-9-18(26)16(11-14)20(27)28/h1-11,26H,(H,27,28)(H,23,24,25)

>  <InChI Key>
JWASFIMFXRRPEO-UHFFFAOYSA-N

