
 CHEMBL3736475

 46 49  0  0  0  0  0  0  0  0999 V2000
    2.4838    0.7316    2.4275 C   0  0  0  0  0
    3.4533    0.4464    1.3423 C   0  0  0  0  0
    4.1042    1.3630    0.5316 C   0  0  0  0  0
    4.9117    0.7154   -0.3578 O   0  0  0  0  0
    4.7922   -0.6124   -0.1130 C   0  0  0  0  0
    3.9090   -0.8329    0.9157 C   0  0  0  0  0
    4.1054    2.8565    0.4622 C   0  0  0  0  0
    2.7838    3.4290    0.1833 N   0  0  0  0  0
    2.7752    4.8394    0.0962 C   0  0  0  0  0
    3.9183    5.4993    0.3290 N   0  0  0  0  0
    3.8784    6.8384    0.2889 C   0  0  0  0  0
    2.8066    7.5754   -0.0189 N   0  0  0  0  0
    1.6678    6.9154   -0.2361 C   0  0  0  0  0
    0.5215    7.6502   -0.5146 C   0  0  0  0  0
   -0.7175    7.0380   -0.7194 C   0  0  0  0  0
   -0.8228    5.6560   -0.6448 C   0  0  0  0  0
    0.3144    4.8962   -0.3775 C   0  0  0  0  0
    1.5740    5.5168   -0.1786 C   0  0  0  0  0
    5.0365    7.5611    0.5415 O   0  0  0  0  0
    5.9679    7.0115    1.3919 C   0  0  0  0  0
    7.3093    7.2298    1.0734 C   0  0  0  0  0
    8.3227    6.7345    1.9020 C   0  0  0  0  0
    7.9960    6.0235    3.0577 C   0  0  0  0  0
    6.6528    5.8453    3.3957 C   0  0  0  0  0
    5.6401    6.3446    2.5741 C   0  0  0  0  0
    8.8866    5.4838    3.9440 O   0  0  0  0  0
   10.2229    5.3310    3.4819 C   0  0  0  0  0
    2.6389    1.7287    2.8510 H   0  0  0  0  0
    2.5863    0.0042    3.2393 H   0  0  0  0  0
    1.4605    0.6753    2.0434 H   0  0  0  0  0
    5.3885   -1.2594   -0.7410 H   0  0  0  0  0
    3.6289   -1.7978    1.3151 H   0  0  0  0  0
    4.8183    3.1662   -0.3135 H   0  0  0  0  0
    4.4774    3.2269    1.4266 H   0  0  0  0  0
    2.4063    3.0388   -0.6757 H   0  0  0  0  0
    0.5928    8.7350   -0.5633 H   0  0  0  0  0
   -1.5948    7.6457   -0.9255 H   0  0  0  0  0
   -1.7850    5.1708   -0.7881 H   0  0  0  0  0
    0.2179    3.8150   -0.3045 H   0  0  0  0  0
    7.5695    7.7866    0.1769 H   0  0  0  0  0
    9.3529    6.9303    1.6242 H   0  0  0  0  0
    6.3922    5.3088    4.3044 H   0  0  0  0  0
    4.6043    6.1975    2.8670 H   0  0  0  0  0
   10.7744    4.7638    4.2381 H   0  0  0  0  0
   10.7142    6.3027    3.3711 H   0  0  0  0  0
   10.2576    4.7611    2.5470 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  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 19  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 36  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 42  1  0  0  0
 25 43  1  0  0  0
 26 27  1  0  0  0
 27 44  1  0  0  0
 27 45  1  0  0  0
 27 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3736475

>  <PubChem CID>
127036503

>  <Formula>
C21H19N3O3

>  <Molecular Weight>
361.401000

>  <IUPAC Name>
2-(4-methoxyphenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(OC=C1)CNC2=NC(=NC3=CC=CC=C32)OC4=CC=C(C=C4)OC

>  <Isomeric SMILES>
CC1=C(OC=C1)CNC2=NC(=NC3=CC=CC=C32)OC4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C21H19N3O3/c1-14-11-12-26-19(14)13-22-20-17-5-3-4-6-18(17)23-21(24-20)27-16-9-7-15(25-2)8-10-16/h3-12H,13H2,1-2H3,(H,22,23,24)

>  <InChI Key>
FWKIVYMJTMZJBY-UHFFFAOYSA-N

