
 compound (R)-10a

 63 67  0  0  0  0  0  0  0  0999 V2000
    1.0054    0.2750   -1.0890 C   0  0  0  0  0
    2.2929   -0.1841   -0.4441 C   0  0  0  0  0
    3.2287    0.7350    0.0991 C   0  0  0  0  0
    4.3965    0.2335    0.6790 C   0  0  0  0  0
    4.6651   -1.1282    0.6998 C   0  0  0  0  0
    3.7683   -2.0231    0.1275 C   0  0  0  0  0
    4.0773   -3.3856    0.1023 C   0  0  0  0  0
    3.2316   -4.2970   -0.5264 C   0  0  0  0  0
    2.0580   -3.7744   -1.0467 C   0  0  0  0  0
    1.7191   -2.4598   -1.0182 N   0  0  0  0  0
    2.5684   -1.5721   -0.4542 C   0  0  0  0  0
    3.6459   -5.7486   -0.6541 C   0  0  0  0  0
    2.4846   -6.7328   -0.4373 C   0  0  0  0  0
    4.4005   -6.1041   -1.8738 N   0  0  0  0  0
    3.7398   -5.8680   -3.1582 C   0  0  0  0  0
    4.2766   -4.5489   -3.6943 C   0  0  0  0  0
    5.5680   -4.2958   -2.9345 C   0  0  0  0  0
    5.7223   -5.4807   -1.9927 C   0  0  0  0  0
    2.9819    2.1355    0.0360 N   0  0  0  0  0
    3.7962    3.1395    0.5360 C   0  0  0  0  0
    4.8732    2.9943    1.1099 O   0  0  0  0  0
    3.3361    4.5400    0.3404 C   0  0  0  0  0
    1.9904    4.9141    0.3470 C   0  0  0  0  0
    1.6523    6.2699    0.2456 C   0  0  0  0  0
    2.6417    7.2540    0.1297 C   0  0  0  0  0
    3.9818    6.8776    0.1368 C   0  0  0  0  0
    4.3251    5.5286    0.2384 C   0  0  0  0  0
    2.1823    8.5407    0.0842 O   0  0  0  0  0
    2.9793    9.5095   -0.6045 C   0  0  0  0  0
    2.6341    9.5085   -2.0650 C   0  0  0  0  0
    1.9779   10.7135   -2.6922 C   0  0  0  0  0
    3.4032   10.3783   -3.0277 C   0  0  0  0  0
    0.5966    1.1637   -0.5999 H   0  0  0  0  0
    0.2184   -0.4827   -1.0071 H   0  0  0  0  0
    1.1753    0.4899   -2.1485 H   0  0  0  0  0
    5.1521    0.8747    1.1180 H   0  0  0  0  0
    5.5958   -1.4702    1.1465 H   0  0  0  0  0
    5.0107   -3.7347    0.5401 H   0  0  0  0  0
    1.3297   -4.4033   -1.5507 H   0  0  0  0  0
    4.3157   -5.9578    0.1934 H   0  0  0  0  0
    1.7259   -6.6819   -1.2240 H   0  0  0  0  0
    1.9835   -6.5334    0.5172 H   0  0  0  0  0
    2.8565   -7.7637   -0.4023 H   0  0  0  0  0
    2.6470   -5.8878   -3.1257 H   0  0  0  0  0
    4.0382   -6.6730   -3.8417 H   0  0  0  0  0
    4.4521   -4.6008   -4.7738 H   0  0  0  0  0
    3.5702   -3.7308   -3.5178 H   0  0  0  0  0
    6.4223   -4.2135   -3.6144 H   0  0  0  0  0
    5.5008   -3.3521   -2.3832 H   0  0  0  0  0
    6.4013   -6.2102   -2.4517 H   0  0  0  0  0
    6.1786   -5.2021   -1.0370 H   0  0  0  0  0
    2.1636    2.4271   -0.4777 H   0  0  0  0  0
    1.1976    4.1849    0.4803 H   0  0  0  0  0
    0.6062    6.5681    0.2733 H   0  0  0  0  0
    4.7911    7.5975    0.1094 H   0  0  0  0  0
    5.3781    5.2509    0.2666 H   0  0  0  0  0
    4.0543    9.3816   -0.4541 H   0  0  0  0  0
    2.7368   10.4816   -0.1598 H   0  0  0  0  0
    2.3487    8.5260   -2.4240 H   0  0  0  0  0
    1.7961   11.5900   -2.0800 H   0  0  0  0  0
    1.2182   10.5383   -3.4453 H   0  0  0  0  0
    3.6098    9.9775   -4.0142 H   0  0  0  0  0
    4.1847   11.0210   -2.6393 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  2  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 18  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 15 45  1  0  0  0
 16 17  1  0  0  0
 16 46  1  0  0  0
 16 47  1  0  0  0
 17 18  1  0  0  0
 17 48  1  0  0  0
 17 49  1  0  0  0
 18 50  1  0  0  0
 18 51  1  0  0  0
 19 20  1  0  0  0
 19 52  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 53  1  0  0  0
 24 25  2  0  0  0
 24 54  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 55  1  0  0  0
 27 56  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 57  1  0  0  0
 29 58  1  0  0  0
 30 32  1  0  0  0
 30 31  1  0  0  0
 30 59  1  0  0  0
 31 32  1  0  0  0
 31 60  1  0  0  0
 31 61  1  0  0  0
 32 62  1  0  0  0
 32 63  1  0  0  0
M  END

>  <Chemical Name>
compound (R)-10a

>  <PubChem CID>
57521365

>  <Formula>
C27H31N3O2

>  <Molecular Weight>
429.564000

>  <IUPAC Name>
4-(cyclopropylmethoxy)-N-[8-methyl-3-[(1R)-1-pyrrolidin-1-ylethyl]quinolin-7-yl]benzamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=CC2=CC(=CN=C12)C(C)N3CCCC3)NC(=O)C4=CC=C(C=C4)OCC5CC5

>  <Isomeric SMILES>
CC1=C(C=CC2=CC(=CN=C12)[C@@H](C)N3CCCC3)NC(=O)C4=CC=C(C=C4)OCC5CC5

>  <InChI Std. ID>
InChI=1S/C27H31N3O2/c1-18-25(29-27(31)21-7-10-24(11-8-21)32-17-20-5-6-20)12-9-22-15-23(16-28-26(18)22)19(2)30-13-3-4-14-30/h7-12,15-16,19-20H,3-6,13-14,17H2,1-2H3,(H,29,31)/t19-/m1/s1

>  <InChI Key>
DFWKNBVJNXPUBW-LJQANCHMSA-N

