
 SMR000127857

 43 46  0  0  0  0  0  0  0  0999 V2000
   15.0266    2.3712   -1.4038 C   0  0  0  0  0
   13.6951    1.8062   -1.0067 C   0  0  0  0  0
   13.2379    1.9160    0.3114 C   0  0  0  0  0
   12.0085    1.3659    0.6854 C   0  0  0  0  0
   11.2196    0.6878   -0.2516 C   0  0  0  0  0
   11.6871    0.5674   -1.5681 C   0  0  0  0  0
   12.9164    1.1145   -1.9400 C   0  0  0  0  0
    9.8877    0.1010    0.1344 C   0  0  0  0  0
    9.8927   -1.3320   -0.0186 N   0  0  0  0  0
    8.7509   -2.0492   -0.2857 C   0  0  0  0  0
    7.6582   -1.5168   -0.4569 O   0  0  0  0  0
    8.9584   -3.4798   -0.3559 C   0  0  0  0  0
    8.0926   -4.5048   -0.6841 C   0  0  0  0  0
    8.8290   -5.7172   -0.5983 C   0  0  0  0  0
   10.1098   -5.3531   -0.2077 C   0  0  0  0  0
   10.1935   -3.9975   -0.0654 O   0  0  0  0  0
   11.1455   -6.2721    0.0041 C   0  0  0  0  0
   12.4405   -5.8889    0.4074 C   0  0  0  0  0
   13.4042   -6.8720    0.6027 C   0  0  0  0  0
   13.0728   -8.2098    0.3959 C   0  0  0  0  0
   11.7772   -8.5638   -0.0080 C   0  0  0  0  0
   10.7876   -7.6123   -0.2130 C   0  0  0  0  0
    9.5536   -7.9911   -0.6001 N   0  0  0  0  0
    8.5554   -7.0783   -0.8064 C   0  0  0  0  0
    7.2199   -7.6059   -1.2311 C   0  0  0  0  0
   15.3010    3.2171   -0.7649 H   0  0  0  0  0
   14.9996    2.7391   -2.4350 H   0  0  0  0  0
   15.7998    1.6014   -1.3211 H   0  0  0  0  0
   13.8353    2.4365    1.0569 H   0  0  0  0  0
   11.6733    1.4746    1.7146 H   0  0  0  0  0
   11.0913    0.0421   -2.3123 H   0  0  0  0  0
   13.2596    1.0007   -2.9659 H   0  0  0  0  0
    9.0937    0.5498   -0.4729 H   0  0  0  0  0
    9.6538    0.3104    1.1845 H   0  0  0  0  0
   10.7413   -1.8483    0.1805 H   0  0  0  0  0
    7.0537   -4.3795   -0.9580 H   0  0  0  0  0
   12.6866   -4.8428    0.5666 H   0  0  0  0  0
   14.4089   -6.5997    0.9157 H   0  0  0  0  0
   13.8196   -8.9855    0.5478 H   0  0  0  0  0
   11.5352   -9.6125   -0.1651 H   0  0  0  0  0
    7.2723   -8.6784   -1.4429 H   0  0  0  0  0
    6.8820   -7.0949   -2.1379 H   0  0  0  0  0
    6.4847   -7.4451   -0.4370 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 24  1  0  0  0
 14 15  2  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 25 41  1  0  0  0
 25 42  1  0  0  0
 25 43  1  0  0  0
M  END

>  <Chemical Name>
SMR000127857

>  <PubChem CID>
6619633

>  <Formula>
C21H18N2O2

>  <Molecular Weight>
330.387000

>  <IUPAC Name>
4-methyl-N-[(4-methylphenyl)methyl]furo[3,2-c]quinoline-2-carboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(O2)C4=CC=CC=C4N=C3C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(O2)C4=CC=CC=C4N=C3C

>  <InChI Std. ID>
InChI=1S/C21H18N2O2/c1-13-7-9-15(10-8-13)12-22-21(24)19-11-17-14(2)23-18-6-4-3-5-16(18)20(17)25-19/h3-11H,12H2,1-2H3,(H,22,24)

>  <InChI Key>
AASCFXUFOVMIDS-UHFFFAOYSA-N

