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
6.2756 0.4850 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9851 0.7008 -0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0476 -0.4257 -0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2563 -0.6085 -1.6009 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9234 -1.1268 -1.2803 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9881 -2.1579 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4748 -1.6722 1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0027 -0.2672 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9039 0.6559 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1455 0.0295 -0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2856 -0.2697 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1338 0.9236 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6271 2.1970 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4282 3.3082 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7318 3.1787 0.0152 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2693 1.9364 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4999 0.8102 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0878 -0.4286 -0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4665 -0.4986 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1089 -1.7318 0.1385 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4774 -1.8710 0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2344 0.6245 0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6305 1.8546 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4603 -1.1242 0.4749 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9782 1.3004 -0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6534 -0.5100 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6317 1.7073 -0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5645 -1.4002 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7856 -1.2486 -2.3183 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1163 0.3882 -2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0407 -2.6721 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7283 -2.9209 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3902 -2.2668 1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7729 -1.7523 1.8702 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4162 0.1994 1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4968 1.5121 -0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2856 0.9871 1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1478 0.7100 -1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6818 -0.7788 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4114 2.4115 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0110 4.3116 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5507 -1.3379 -0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7879 -2.9095 0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1016 -1.1941 -0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7615 -1.7654 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3041 0.5659 0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1819 2.7722 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6003 -0.6315 1.3228 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