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
-4.4074 2.7987 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5407 1.8713 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6881 0.5772 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 0.4196 1.5269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6412 -0.6237 1.1865 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4253 -1.8379 1.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4663 -1.8794 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4700 -0.5582 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0982 -0.3654 -1.1827 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0831 -0.2479 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2078 -0.7747 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2674 -1.2491 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2609 -2.4099 1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3653 -2.9568 1.6648 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5276 -2.3150 1.5714 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5748 -1.1723 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5168 -0.5856 0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6029 0.6226 -0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7968 1.3155 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7642 2.5225 -1.0525 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8207 3.3937 -1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8805 0.7656 0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7780 -0.4501 0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5707 -0.3066 -1.8083 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1403 3.6998 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3947 2.7574 -0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5438 2.0660 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7182 0.4244 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1113 0.1234 2.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0912 1.3912 1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9958 -1.7576 2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8895 -2.7586 1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2121 -2.7109 -0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4851 -2.0802 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1717 -0.5684 -1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8980 -1.2695 -1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0900 0.4867 -1.8389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9408 0.9024 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2205 -1.8487 -0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3423 -2.9748 1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2594 -3.9287 2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7251 1.0686 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0173 3.9791 -0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5756 4.0897 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7981 2.9104 -1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8132 1.2822 0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6428 -0.8887 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2705 -0.9492 -2.0853 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