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
-5.3481 0.9857 0.8624 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1561 0.7538 1.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9747 0.5537 0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3120 -0.7958 0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6790 -1.2698 -0.4640 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7479 -1.8024 -1.3195 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7732 -0.7007 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2730 0.6376 -0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 0.9071 -1.6085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0194 -0.2624 -1.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2677 0.2433 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2902 -0.8068 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1421 -2.1041 -0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1104 -3.0666 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2744 -2.6900 -0.2093 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4954 -1.4416 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4987 -0.4668 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7768 0.8101 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9805 1.1623 1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1338 2.4638 1.5542 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2901 2.9755 2.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9376 0.1924 1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6976 -1.1071 0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7414 1.2227 -1.5253 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5760 1.0521 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2034 1.1280 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0023 0.6998 2.4349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1761 1.3053 0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6129 -0.7498 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1157 -1.5147 1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2910 -2.1131 -2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1590 -2.6986 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0064 -0.5508 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6507 -0.9949 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9786 1.4187 -1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0024 1.0453 -2.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5089 1.8146 -1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7173 -0.7381 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1094 0.7242 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2142 -2.3946 -1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9437 -4.0879 -1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9701 1.5434 0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2071 2.4716 1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1311 2.9096 3.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3920 4.0515 1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8753 0.4287 1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4532 -1.8911 0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2457 0.7468 -2.2584 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