
 N-Benzylquinazolin-4-amine

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.6321   -3.5088    2.3524 C   0  0  0  0  0
    0.6896   -3.7072    0.9740 C   0  0  0  0  0
    1.2958   -2.7530    0.1550 C   0  0  0  0  0
    1.8448   -1.5865    0.7083 C   0  0  0  0  0
    1.7965   -1.4067    2.0982 C   0  0  0  0  0
    1.1875   -2.3609    2.9149 C   0  0  0  0  0
    2.5067   -0.5538   -0.1757 C   0  0  0  0  0
    3.9376   -0.8243   -0.2320 N   0  0  0  0  0
    4.6607    0.0123   -1.1097 C   0  0  0  0  0
    4.0071    1.0043   -1.7400 N   0  0  0  0  0
    4.7293    1.7763   -2.5585 C   0  0  0  0  0
    6.0362    1.6603   -2.8117 N   0  0  0  0  0
    6.6841    0.6869   -2.1648 C   0  0  0  0  0
    8.0484    0.5403   -2.3833 C   0  0  0  0  0
    8.8001   -0.4448   -1.7368 C   0  0  0  0  0
    8.1801   -1.3072   -0.8436 C   0  0  0  0  0
    6.8124   -1.1812   -0.6092 C   0  0  0  0  0
    6.0461   -0.1879   -1.2734 C   0  0  0  0  0
    0.1571   -4.2505    2.9892 H   0  0  0  0  0
    0.2606   -4.6050    0.5366 H   0  0  0  0  0
    1.3329   -2.9215   -0.9189 H   0  0  0  0  0
    2.2360   -0.5187    2.5481 H   0  0  0  0  0
    1.1481   -2.2085    3.9903 H   0  0  0  0  0
    2.3122    0.4458    0.2342 H   0  0  0  0  0
    2.0506   -0.5978   -1.1735 H   0  0  0  0  0
    4.1170   -1.7952   -0.4688 H   0  0  0  0  0
    4.2014    2.5743   -3.0694 H   0  0  0  0  0
    8.5448    1.2176   -3.0753 H   0  0  0  0  0
    9.8666   -0.5269   -1.9293 H   0  0  0  0  0
    8.7567   -2.0699   -0.3266 H   0  0  0  0  0
    6.3403   -1.8496    0.1072 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 16  2  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 17 18  2  0  0  0
 17 31  1  0  0  0
M  END

>  <Chemical Name>
N-Benzylquinazolin-4-amine

>  <PubChem CID>
616573

>  <Formula>
C15H13N3

>  <Molecular Weight>
235.290000

>  <IUPAC Name>
N-benzylquinazolin-4-amine

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC=C32

>  <Isomeric SMILES>
C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)

>  <InChI Key>
FVWANTDQRFSCAL-UHFFFAOYSA-N

