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
4.6519 2.6459 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6336 1.8814 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4596 0.5289 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1555 0.4172 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6847 -0.9529 0.8975 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7980 -1.8633 1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7230 -1.8685 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4646 -0.5598 -0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0568 -0.6696 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1150 -1.2724 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2288 -0.6317 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2290 -0.9912 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0305 -1.9671 1.3431 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9927 -2.2991 2.2751 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1623 -1.6538 2.2622 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4039 -0.6965 1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4433 -0.3403 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6966 0.6512 -0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8915 1.3223 -0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0794 2.3091 -1.4960 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2737 3.0281 -1.5639 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8451 0.9811 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6149 -0.0053 1.3307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7256 -0.9822 -1.8707 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3719 2.2952 0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7639 3.6158 -0.4945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9159 2.2662 -1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2987 0.3575 0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4522 1.1596 0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.6299 2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3406 -1.5132 2.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4561 -2.8823 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5594 -2.7505 -0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7849 -1.8303 0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1949 -0.3856 -1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0464 -1.2660 -2.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6934 0.3463 -1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1353 -2.3470 -0.5384 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0664 0.4641 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1056 -2.4841 1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8452 -3.0639 3.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9300 0.8970 -1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5823 3.3549 -0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0462 2.3701 -1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1214 3.9068 -2.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7974 1.5349 0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3853 -0.2579 2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6252 -1.4289 -1.7924 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