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
4.5171 2.9158 -0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4957 2.1370 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5675 0.6990 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5362 0.2310 -1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0324 -1.0418 -1.0999 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1569 -1.9290 -0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8318 -1.5328 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3525 -0.1343 0.8004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8583 -0.2104 1.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2116 -1.0689 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1924 -0.6185 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1748 -0.8930 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8598 -1.5774 1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8092 -1.8178 2.8761 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0577 -1.3764 2.6844 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3937 -0.7065 1.5653 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4916 -0.4275 0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8556 0.2399 -0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1717 0.6784 -0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5340 1.3604 -1.9376 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8842 1.7686 -2.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0646 0.4036 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7071 -0.2677 1.3789 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1704 0.7207 -0.6620 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4261 2.5117 -0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4562 3.9681 -0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5890 2.5543 0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5983 0.4513 -0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8340 1.0224 -1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1106 0.0672 -2.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8531 -1.8927 -1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7081 -2.9462 -0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6251 -2.2393 1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9265 -1.4710 0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9311 0.2891 1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4268 0.7969 1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8665 -0.6610 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1638 -2.1097 0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3335 -1.1648 -1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1085 -1.9858 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5662 -2.3640 3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1472 0.4221 -1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1350 2.4625 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1022 2.2042 -3.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5838 0.8998 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0936 0.7562 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4270 -0.4683 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4284 1.3448 0.0539 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