
 BDBM61566

 43 46  0  0  0  0  0  0  0  0999 V2000
   -2.9691    1.1036   -0.0768 C   0  0  0  0  0
   -2.5608    2.4219   -0.2304 C   0  0  0  0  0
   -1.1967    2.7228   -0.2998 C   0  0  0  0  0
   -0.2210    1.7374   -0.2196 C   0  0  0  0  0
   -0.6285    0.4117   -0.0650 C   0  0  0  0  0
   -2.0093    0.0985    0.0064 C   0  0  0  0  0
    0.4127   -0.5183    0.0065 C   0  0  0  0  0
    1.7183   -0.1746   -0.0526 N   0  0  0  0  0
    1.9939    1.1282   -0.1973 C   0  0  0  0  0
    1.0645    2.0921   -0.2925 N   0  0  0  0  0
    3.4077    1.5109   -0.3080 C   0  0  0  0  0
    4.3631    0.6130   -0.8284 C   0  0  0  0  0
    5.7108    0.9687   -0.9552 C   0  0  0  0  0
    6.1386    2.2314   -0.5563 C   0  0  0  0  0
    5.2186    3.1328   -0.0289 C   0  0  0  0  0
    3.8742    2.7719    0.0913 C   0  0  0  0  0
    3.0427    3.6754    0.6332 F   0  0  0  0  0
    0.1026   -1.8868    0.2000 N   0  0  0  0  0
    1.0026   -2.6511   -0.2117 N   0  0  0  0  0
    0.6962   -4.0734    0.0368 C   0  0  0  0  0
    1.2998   -4.6489    1.3016 C   0  0  0  0  0
    1.1214   -6.0084    1.5987 C   0  0  0  0  0
    1.6574   -6.5815    2.7537 C   0  0  0  0  0
    2.3829   -5.7797    3.6283 C   0  0  0  0  0
    2.5746   -4.4300    3.3636 C   0  0  0  0  0
    2.0371   -3.8661    2.2043 C   0  0  0  0  0
    2.9305   -6.2843    4.7713 O   0  0  0  0  0
    0.4017   -6.7767    0.7239 O   0  0  0  0  0
   -4.0266    0.8589   -0.0215 H   0  0  0  0  0
   -3.2957    3.2199   -0.2956 H   0  0  0  0  0
   -0.8861    3.7596   -0.4180 H   0  0  0  0  0
   -2.3337   -0.9335    0.1266 H   0  0  0  0  0
    4.0525   -0.3814   -1.1490 H   0  0  0  0  0
    6.4221    0.2561   -1.3659 H   0  0  0  0  0
    7.1846    2.5110   -0.6515 H   0  0  0  0  0
    5.5344    4.1192    0.2971 H   0  0  0  0  0
    1.0906   -4.6361   -0.8178 H   0  0  0  0  0
   -0.3911   -4.2300    0.0560 H   0  0  0  0  0
    1.5108   -7.6337    2.9675 H   0  0  0  0  0
    3.1422   -3.8138    4.0553 H   0  0  0  0  0
    2.2028   -2.8070    2.0165 H   0  0  0  0  0
    2.7344   -7.2333    4.8239 H   0  0  0  0  0
    0.3742   -7.6900    1.0533 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 10  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 37  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 28  1  0  0  0
 23 24  2  0  0  0
 23 39  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 40  1  0  0  0
 26 41  1  0  0  0
 27 42  1  0  0  0
 28 43  1  0  0  0
M  END

>  <Chemical Name>
BDBM61566

>  <PubChem CID>
91897479

>  <Formula>
C21H15FN4O2

>  <Molecular Weight>
374.375000

>  <IUPAC Name>
4-[[[2-(2-fluorophenyl)quinazolin-4-yl]diazenyl]methyl]benzene-1,3-diol

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3F)N=NCC4=C(C=C(C=C4)O)O

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3F)N=NCC4=C(C=C(C=C4)O)O

>  <InChI Std. ID>
InChI=1S/C21H15FN4O2/c22-17-7-3-1-5-15(17)20-24-18-8-4-2-6-16(18)21(25-20)26-23-12-13-9-10-14(27)11-19(13)28/h1-11,27-28H,12H2

>  <InChI Key>
BDKQGMJNSVBBLT-UHFFFAOYSA-N

