
 N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide

 44 48  0  0  0  0  0  0  0  0999 V2000
    1.6404   -0.7330   -0.3647 C   0  0  0  0  0
    2.9625   -0.2746   -0.1044 O   0  0  0  0  0
    3.1919    1.0551   -0.3268 C   0  0  0  0  0
    4.5311    1.3966   -0.5410 C   0  0  0  0  0
    4.9320    2.7006   -0.7907 C   0  0  0  0  0
    6.2335    2.9282   -1.0145 N   0  0  0  0  0
    6.5418    4.2102   -1.2579 C   0  0  0  0  0
    5.6712    5.2924   -1.2904 C   0  0  0  0  0
    4.3156    5.0370   -1.0495 C   0  0  0  0  0
    3.9373    3.7084   -0.7988 C   0  0  0  0  0
    2.5946    3.3760   -0.5601 C   0  0  0  0  0
    2.2227    2.0520   -0.3250 C   0  0  0  0  0
    6.4647    6.4297   -1.5805 C   0  0  0  0  0
    7.7655    5.9812   -1.7141 C   0  0  0  0  0
    7.8110    4.6266   -1.5180 O   0  0  0  0  0
    8.9893    6.6954   -2.0031 C   0  0  0  0  0
    9.0456    7.9120   -2.1541 O   0  0  0  0  0
   10.1006    5.8884   -2.0939 N   0  0  0  0  0
   11.4112    6.4324   -2.3371 C   0  0  0  0  0
   12.4601    5.3513   -2.3630 C   0  0  0  0  0
   12.7317    4.6039   -1.2034 C   0  0  0  0  0
   13.6917    3.6171   -1.2745 C   0  0  0  0  0
   14.3817    3.3591   -2.4346 C   0  0  0  0  0
   14.1499    4.0727   -3.5896 C   0  0  0  0  0
   13.1765    5.0769   -3.5509 C   0  0  0  0  0
   15.2805    2.3492   -2.2903 O   0  0  0  0  0
   15.0667    1.9919   -0.9088 C   0  0  0  0  0
   14.0680    2.8010   -0.2541 O   0  0  0  0  0
    1.6490   -1.8263   -0.3085 H   0  0  0  0  0
    1.3137   -0.4527   -1.3730 H   0  0  0  0  0
    0.9390   -0.3671    0.3929 H   0  0  0  0  0
    5.2848    0.6115   -0.5272 H   0  0  0  0  0
    3.5897    5.8438   -1.0636 H   0  0  0  0  0
    1.8265    4.1471   -0.5554 H   0  0  0  0  0
    1.1774    1.8338   -0.1319 H   0  0  0  0  0
    6.1426    7.4565   -1.6838 H   0  0  0  0  0
    9.9759    4.8892   -1.9732 H   0  0  0  0  0
   11.6444    7.1615   -1.5521 H   0  0  0  0  0
   11.3810    6.9800   -3.2859 H   0  0  0  0  0
   12.2027    4.7880   -0.2737 H   0  0  0  0  0
   14.7025    3.8599   -4.4975 H   0  0  0  0  0
   12.9750    5.6493   -4.4550 H   0  0  0  0  0
   14.7530    0.9424   -0.8630 H   0  0  0  0  0
   16.0141    2.0993   -0.3682 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  3 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  7 15  1  0  0  0
  7  8  2  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
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 16 17  2  0  0  0
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 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 28  1  0  0  0
 22 23  2  0  0  0
 23 26  1  0  0  0
 23 24  1  0  0  0
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 26 27  1  0  0  0
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 27 43  1  0  0  0
 27 44  1  0  0  0
M  END

>  <Chemical Name>
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide

>  <PubChem CID>
3244823

>  <Formula>
C21H16N2O5

>  <Molecular Weight>
376.368000

>  <IUPAC Name>
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCC4=CC5=C(C=C4)OCO5

>  <Isomeric SMILES>
COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCC4=CC5=C(C=C4)OCO5

>  <InChI Std. ID>
InChI=1S/C21H16N2O5/c1-25-15-4-3-13-7-14-8-19(28-21(14)23-16(13)9-15)20(24)22-10-12-2-5-17-18(6-12)27-11-26-17/h2-9H,10-11H2,1H3,(H,22,24)

>  <InChI Key>
ACOMGCASAKQJIO-UHFFFAOYSA-N

