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
    6.2756    0.4850   -0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851    0.7008   -0.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0476   -0.4257   -0.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2563   -0.6085   -1.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9234   -1.1268   -1.2803 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9881   -2.1579   -0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4748   -1.6722    1.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0027   -0.2672    0.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9039    0.6559    0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1455    0.0295   -0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2856   -0.2697   -0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1338    0.9236   -0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6271    2.1970   -0.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282    3.3082   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7318    3.1787    0.0152 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2693    1.9364    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4999    0.8102   -0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0878   -0.4286   -0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4665   -0.4986    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1089   -1.7318    0.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4774   -1.8710    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2344    0.6245    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6305    1.8546    0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4603   -1.1242    0.4749 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9782    1.3004   -0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6534   -0.5100   -0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6317    1.7073   -0.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5645   -1.4002   -0.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856   -1.2486   -2.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1163    0.3882   -2.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0407   -2.6721   -0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7283   -2.9209   -0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3902   -2.2668    1.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7729   -1.7523    1.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4162    0.1994    1.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4968    1.5121   -0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2856    0.9871    1.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478    0.7100   -1.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6818   -0.7788   -1.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4114    2.4115   -0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0110    4.3116   -0.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5507   -1.3379   -0.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7879   -2.9095    0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1016   -1.1941   -0.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7615   -1.7654    1.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3041    0.5659    0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1819    2.7722    0.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6003   -0.6315    1.3228 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