
 CHEMBL254429

 51 53  0  0  0  0  0  0  0  0999 V2000
    0.7858    1.4906    2.1279 C   0  0  0  0  0
    1.6260    1.1490    0.8825 C   0  0  0  0  0
    3.0513    0.7860    1.3340 C   0  0  0  0  0
    3.8882    0.2053    0.2294 C   0  0  0  0  0
    5.2241    0.3975    0.3297 N   0  0  0  0  0
    6.0575   -0.1608   -0.5858 C   0  0  0  0  0
    5.5494   -0.9385   -1.6416 C   0  0  0  0  0
    4.1676   -1.1538   -1.7138 C   0  0  0  0  0
    3.3242   -0.5428   -0.7886 C   0  0  0  0  0
    1.8583   -0.6845   -0.8994 C   0  0  0  0  0
    1.3795   -1.3394   -1.8217 O   0  0  0  0  0
    0.9852   -0.0544    0.1664 C   0  0  0  0  0
    6.4690   -1.6711   -2.5510 C   0  0  0  0  0
    7.4725   -2.1709   -2.0330 O   0  0  0  0  0
    6.1686   -1.8362   -3.9062 N   0  0  0  0  0
    6.9128   -2.8321   -4.6628 C   0  0  0  0  0
    5.1317   -1.1280   -4.6452 C   0  0  0  0  0
    7.4250    0.1527   -0.5036 N   0  0  0  0  0
    7.8795    0.7337    0.7591 C   0  0  0  0  0
    8.0948   -0.3418    1.8332 C   0  0  0  0  0
    9.3238    0.1237    2.5968 C   0  0  0  0  0
   10.2138    0.6767    1.4982 C   0  0  0  0  0
    9.2496    1.4095    0.5728 C   0  0  0  0  0
    1.6466    2.3881   -0.0348 C   0  0  0  0  0
    0.7311    0.6389    2.8156 H   0  0  0  0  0
   -0.2397    1.7603    1.8518 H   0  0  0  0  0
    1.2188    2.3331    2.6789 H   0  0  0  0  0
    3.0126    0.0367    2.1360 H   0  0  0  0  0
    3.5541    1.6685    1.7499 H   0  0  0  0  0
    3.7451   -1.8109   -2.4682 H   0  0  0  0  0
    0.0453    0.2549   -0.3073 H   0  0  0  0  0
    0.7492   -0.8499    0.8842 H   0  0  0  0  0
    7.7504   -3.2470   -4.0967 H   0  0  0  0  0
    7.2997   -2.3765   -5.5790 H   0  0  0  0  0
    6.2298   -3.6471   -4.9227 H   0  0  0  0  0
    5.5184   -0.8472   -5.6299 H   0  0  0  0  0
    4.8220   -0.2159   -4.1321 H   0  0  0  0  0
    4.2759   -1.7970   -4.7776 H   0  0  0  0  0
    7.9711   -0.6689   -0.7862 H   0  0  0  0  0
    7.1908    1.5081    1.1215 H   0  0  0  0  0
    8.2901   -1.3241    1.3846 H   0  0  0  0  0
    7.2243   -0.4482    2.4883 H   0  0  0  0  0
    9.0546    0.9145    3.3069 H   0  0  0  0  0
    9.8028   -0.6883    3.1511 H   0  0  0  0  0
   10.9948    1.3362    1.8879 H   0  0  0  0  0
   10.6990   -0.1436    0.9567 H   0  0  0  0  0
    9.1758    2.4583    0.8880 H   0  0  0  0  0
    9.6060    1.4092   -0.4624 H   0  0  0  0  0
    2.2158    2.2161   -0.9537 H   0  0  0  0  0
    2.0990    3.2455    0.4772 H   0  0  0  0  0
    0.6309    2.6777   -0.3267 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 12  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  7 13  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 23  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL254429

>  <PubChem CID>
24777815

>  <Formula>
C19H27N3O2

>  <Molecular Weight>
329.444000

>  <IUPAC Name>
2-(cyclopentylamino)-N,N,7,7-tetramethyl-5-oxo-6,8-dihydroquinoline-3-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1(CC2=NC(=C(C=C2C(=O)C1)C(=O)N(C)C)NC3CCCC3)C

>  <Isomeric SMILES>
CC1(CC2=NC(=C(C=C2C(=O)C1)C(=O)N(C)C)NC3CCCC3)C

>  <InChI Std. ID>
InChI=1S/C19H27N3O2/c1-19(2)10-15-13(16(23)11-19)9-14(18(24)22(3)4)17(21-15)20-12-7-5-6-8-12/h9,12H,5-8,10-11H2,1-4H3,(H,20,21)

>  <InChI Key>
CPSAHJFXWDCZBO-UHFFFAOYSA-N

