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
-4.6856 -1.7492 -1.4922 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1171 -1.7179 -0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9543 -0.9268 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3357 -0.0669 -0.9485 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7187 1.1264 -0.4007 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8215 2.0647 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8468 1.3210 0.6683 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2716 0.0290 1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9374 0.3072 1.9017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0309 0.9483 0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2745 0.1911 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2040 0.9762 -0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9327 2.2249 -0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8934 2.8373 -1.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0779 2.2843 -1.6867 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3830 1.0587 -1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4547 0.3985 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7237 -0.8492 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9386 -1.4331 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1712 -2.6902 0.3638 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4197 -3.3034 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8650 -0.7764 -0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6117 0.4739 -1.4853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7457 0.1295 2.0675 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5410 -2.3815 -1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3102 -1.1543 -2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5466 -2.3561 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1649 -1.6278 0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6449 -0.6364 -1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1480 0.3121 -1.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3883 2.8581 0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2115 2.5112 -1.0586 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7025 1.0801 0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2226 1.9183 1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0023 -0.3977 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9868 0.8732 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4899 -0.7090 2.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8685 1.9815 1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0766 -0.8157 0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0091 2.6775 -0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6807 3.8188 -1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9708 -1.3187 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5149 -4.2975 0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5340 -3.3642 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2550 -2.6195 0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8171 -1.2338 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3082 1.0132 -2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1039 1.0102 2.2922 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