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
   -4.5444   -0.0046   -2.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4291    0.3057   -2.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3434    0.2482   -0.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273   -0.7197   -0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6904   -0.2035    1.0483 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7537    0.2296    1.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4059    1.4748    1.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9951    1.6109   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5132    1.7973   -0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8261    0.9025    0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411    0.4915    0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3365   -0.2897    1.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790   -0.4958    2.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6701   -1.2366    3.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8668   -1.7498    2.9656 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2873   -1.5294    1.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5538   -0.7998    0.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167   -0.5922   -0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282   -1.1138   -0.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7555   -0.9562   -2.1537 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1814   -0.2593   -3.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9639   -1.8485    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024   -2.0542    1.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2976    1.6689    0.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4527   -0.3154   -2.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5874    0.0440   -3.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5726    0.6047   -2.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3584   -0.0350   -0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8562   -1.6467    0.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5795   -1.0215   -0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4938   -0.6109    1.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3408    0.4503    2.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5041    1.3019    1.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1602    2.3789    1.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5786    2.4175   -0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1926    2.8541   -0.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2529    1.4671   -1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6905    1.5286    1.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4607   -0.0105   -0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0570   -0.1097    2.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3197   -1.4026    4.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.0238   -1.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7383   -0.9382   -3.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4506    0.5083   -2.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0157    0.2768   -3.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9259   -2.2726   -0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0896   -2.6276    1.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9959    2.3056    0.7685 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