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
5.5112 -0.3180 -2.0346 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8956 -0.6790 -0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4635 -0.3698 -0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -1.6050 -0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4126 -1.2395 0.1167 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -1.2405 1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0417 -0.3181 1.7035 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2170 0.5242 0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8515 1.1713 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9717 0.0352 -0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4426 0.3970 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4503 -0.4402 -0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1599 -1.5192 -1.4323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2138 -2.2195 -1.9796 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4941 -1.9183 -1.7793 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8134 -0.8751 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7864 -0.1499 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1808 0.9281 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5183 1.2357 0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8712 2.3198 1.3678 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9197 3.1471 2.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5043 0.4970 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1438 -0.5683 -0.8011 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5597 0.3962 1.4337 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0192 0.2016 -2.8507 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5596 -0.5456 -2.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4772 -1.2024 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1302 0.2141 -1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1277 -2.3721 -0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.9127 -1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -1.0862 2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2530 -2.2826 1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9734 -0.8484 1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7698 0.3846 2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0092 1.2604 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4447 1.4653 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9226 1.9977 -0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0671 0.0698 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6031 1.4471 -0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1392 -1.7736 -1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0157 -3.0857 -2.6261 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4769 1.5587 0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1133 3.4341 1.3325 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4628 4.0562 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4783 2.5835 2.8551 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5491 0.7315 0.1424 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8985 -1.1760 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1603 -0.3107 1.7453 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