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
-6.3147 -0.1169 -0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1369 -0.5100 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8835 0.0841 -0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9571 -0.8731 -1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5936 -0.4289 -1.1011 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4882 1.0137 -1.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 1.7736 -0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0860 0.7410 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1532 -0.2577 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1762 -0.8543 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2526 -0.3858 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2239 -0.9980 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8726 -1.9434 -1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8342 -2.4716 -2.1738 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1160 -2.0806 -2.1196 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4653 -1.1397 -1.2155 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5443 -0.5745 -0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8908 0.3895 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2006 0.7940 0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5194 1.7676 1.5685 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8307 2.2485 1.7045 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1555 0.2611 -0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7834 -0.6989 -1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6183 -0.8339 1.7967 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3726 0.6686 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2504 -0.5396 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1270 -1.2912 0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1193 0.8910 -1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2285 -0.9596 -2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0404 -1.8983 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4666 1.3468 -1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0578 1.2401 -2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9151 2.5297 -0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5404 2.3007 0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7297 1.1896 1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6610 0.2592 2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7822 -1.0791 1.5994 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2039 -1.9472 0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2402 0.6969 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1521 -2.2928 -1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5685 -3.2426 -2.9209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1209 0.8021 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4034 1.4897 2.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2340 2.4561 0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7549 3.2038 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1986 0.6027 -0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5056 -1.1518 -1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2995 -0.1806 2.4422 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