Monomers

Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-

Identifiers

IUPAC name
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol
InchI
InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3
InchI Key
LOUPRKONTZGTKE-UHFFFAOYSA-N
SMILES
C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O
Canonical SMILES
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
Isomeric SMILES
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C20H24N2O2
Heavy Atom Count
24
Molecular Weight
324.424
Exact Molecular Weight
324.1838
Valence Electrons
126
Radical Electrons
0
tPSA
45.59
MolLogP
3.1732
H Bond Acceptors
4
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
3
Aromatic Heterocycles
1
Aliphatic Rings
3
Aromatic Rings
2

MOL File


     RDKit          3D

 48 51  0  0  0  0  0  0  0  0999 V2000
   -5.6673    1.2589   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9478    0.3822   -0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4911    0.3312   -0.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9834   -0.9919   -0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6999   -0.7824    0.3754 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9535   -0.1763    1.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9953    0.9062    1.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9455    1.4008    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4419    1.4706   -0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9052    0.0439   -0.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.0949   -0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897   -1.1424   -0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8058   -2.3603   -0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5936   -3.4856   -0.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9116   -3.4037   -0.3684 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4337   -2.2237    0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6492   -1.0960    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562    0.0789    0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980    0.1295    0.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1833    1.3202    1.2200 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5255    2.5429    1.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3502   -0.9965    0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7918   -2.1929    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0971    0.9656   -1.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7658    1.2841   -0.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2073    1.9946    0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4695   -0.3449   -1.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0025    0.5231   -1.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6646   -1.4247    0.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8679   -1.6895   -1.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3642   -0.9902    2.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0176    0.1863    2.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7186    1.7378    2.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9816    0.5274    1.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3373    2.4013   -0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9654    1.9382    0.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2838    2.0818   -1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1295   -0.2157   -1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777    0.6418    0.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2236   -2.4570   -0.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975   -4.4408   -1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6887    0.9972    0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8790    2.7912    0.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9487    2.6578    2.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3173    3.3471    1.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4066   -0.9675    1.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3755   -3.0881    0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5115    0.4347   -1.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  2  0
 11 24  1  0
  8  3  1  0
 17 12  1  0
 10  5  1  0
 23 16  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  0
  7 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 11 39  1  0
 13 40  1  0
 14 41  1  0
 18 42  1  0
 21 43  1  0
 21 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers