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