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
-6.0800 0.1446 -0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9388 0.2647 0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6759 0.0102 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8974 -1.1382 0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5561 -0.6781 0.7917 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 0.3126 1.8053 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4370 1.5510 1.2772 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8246 1.2581 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5956 0.9870 -1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9206 -0.2491 -0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5341 0.1433 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3450 -1.0121 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7570 -2.2506 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5632 -3.3895 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8837 -3.3431 0.1296 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4901 -2.1694 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7491 -1.0258 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3947 0.1841 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7827 0.2778 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3581 1.5310 -0.1857 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6250 2.7191 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4903 -0.8768 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8844 -2.1144 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5133 1.1566 0.6394 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1165 -0.1307 -1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0144 0.3215 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9738 0.5443 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8903 -0.2635 -1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8599 -2.0173 -0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4115 -1.4110 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4791 -0.1413 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8560 0.5347 2.4176 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8064 2.4561 1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3781 1.7898 1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3666 2.1089 -0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9556 0.8217 -2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9356 1.8662 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0770 -1.0374 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7917 0.6176 -1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2967 -2.4721 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1051 -4.3777 0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7980 1.0502 -0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2605 2.8875 -1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7557 2.7801 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2898 3.5726 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5788 -0.8430 0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4734 -3.0056 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6649 2.0555 0.2784 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