
 CHEMBL324935

 46 48  0  0  0  0  0  0  0  0999 V2000
    1.3460    0.2201   -2.6314 C   0  0  0  0  0
    2.5948    0.3340   -1.7605 C   0  0  0  0  0
    3.6661   -0.6523   -2.2180 C   0  0  0  0  0
    3.1460    1.7575   -1.8212 C   0  0  0  0  0
    3.0323    2.4396   -2.8359 O   0  0  0  0  0
    3.8130    2.1278   -0.6645 N   0  0  0  0  0
    4.4282    3.3730   -0.4024 C   0  0  0  0  0
    4.3444    4.4792   -1.2526 C   0  0  0  0  0
    5.0382    5.6619   -0.9638 C   0  0  0  0  0
    5.8596    5.7295    0.1631 C   0  0  0  0  0
    5.8790    4.6569    1.0624 C   0  0  0  0  0
    5.1670    3.4866    0.7812 C   0  0  0  0  0
    6.6979    6.9161    0.4704 C   0  0  0  0  0
    6.7012    7.2700    1.6540 O   0  0  0  0  0
    7.3872    7.6274   -0.5296 N   0  0  0  0  0
    7.8714    8.9573   -0.1470 C   0  0  0  0  0
    7.6135    9.9729   -1.2430 C   0  0  0  0  0
    8.3617    9.5674   -2.4976 C   0  0  0  0  0
    8.2502    8.0920   -2.7897 C   0  0  0  0  0
    8.6524    7.6558   -4.0666 C   0  0  0  0  0
    8.6399    6.3050   -4.3929 C   0  0  0  0  0
    8.2681    5.3756   -3.4322 C   0  0  0  0  0
    7.8880    5.7984   -2.1532 C   0  0  0  0  0
    7.8216    7.1581   -1.8185 C   0  0  0  0  0
    0.5905    0.9476   -2.3150 H   0  0  0  0  0
    0.9072   -0.7794   -2.5565 H   0  0  0  0  0
    1.5696    0.4148   -3.6861 H   0  0  0  0  0
    2.3121    0.1043   -0.7263 H   0  0  0  0  0
    3.9961   -0.4327   -3.2399 H   0  0  0  0  0
    3.2851   -1.6787   -2.1997 H   0  0  0  0  0
    4.5492   -0.6070   -1.5719 H   0  0  0  0  0
    3.9111    1.4232    0.0549 H   0  0  0  0  0
    3.7513    4.4570   -2.1623 H   0  0  0  0  0
    4.9592    6.5037   -1.6465 H   0  0  0  0  0
    6.4669    4.7253    1.9765 H   0  0  0  0  0
    5.2220    2.6654    1.4903 H   0  0  0  0  0
    7.3775    9.3039    0.7672 H   0  0  0  0  0
    8.9421    8.8720    0.0792 H   0  0  0  0  0
    7.9336   10.9713   -0.9248 H   0  0  0  0  0
    6.5373   10.0255   -1.4506 H   0  0  0  0  0
    9.4259    9.8090   -2.3808 H   0  0  0  0  0
    7.9810   10.1513   -3.3439 H   0  0  0  0  0
    8.9824    8.3769   -4.8118 H   0  0  0  0  0
    8.9421    5.9778   -5.3840 H   0  0  0  0  0
    8.2808    4.3144   -3.6682 H   0  0  0  0  0
    7.6771    5.0193   -1.4295 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 36  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 24  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL324935

>  <PubChem CID>
5099582

>  <Formula>
C20H22N2O2

>  <Molecular Weight>
322.408000

>  <IUPAC Name>
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-methylpropanamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)C(=O)NC1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32

>  <Isomeric SMILES>
CC(C)C(=O)NC1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C20H22N2O2/c1-14(2)19(23)21-17-11-9-16(10-12-17)20(24)22-13-5-7-15-6-3-4-8-18(15)22/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,21,23)

>  <InChI Key>
GSJBILDUFGGDEH-UHFFFAOYSA-N

