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
-5.4689 1.0217 -1.6954 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1999 0.8565 -1.4281 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7318 0.6020 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8649 1.6845 0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5323 1.1727 0.8502 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7059 0.2180 1.8956 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6999 -0.8866 1.5575 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9985 -0.7111 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6294 -0.6617 -0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9168 0.6287 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5458 0.4887 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 -0.1224 -1.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0134 -0.3656 -2.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8566 -0.9439 -3.2923 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0806 -1.2886 -2.9332 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5155 -1.0841 -1.6838 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6897 -0.5024 -0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1509 -0.2994 0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4424 -0.6727 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8884 -0.4539 2.1408 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1184 0.1290 3.1601 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2491 -1.2495 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8090 -1.4686 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0710 1.7538 0.3554 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7907 1.2086 -2.7103 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2292 0.9740 -0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4612 0.9046 -2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6400 0.5070 0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8300 2.5406 -0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2740 2.0667 1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1181 0.8142 2.7699 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8146 -0.2589 2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5950 -0.7757 2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2183 -1.8956 1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5390 -1.5737 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9076 -0.8309 -1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0738 -1.5353 -0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1349 1.3166 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5957 -0.1350 0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0219 -0.0724 -2.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4992 -1.1038 -4.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4929 0.1605 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8301 1.1836 2.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7917 0.2272 4.0621 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2357 -0.4813 3.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2712 -1.5362 0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4650 -1.9213 -2.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3569 2.3713 0.6171 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