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
-4.0369 0.0611 2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4218 0.3295 1.3937 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4803 0.6549 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0820 0.9791 0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2322 0.7539 -0.3674 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7593 1.3140 -1.5892 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0525 0.6763 -2.0676 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4873 -0.2346 -0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3667 -1.2756 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0981 -0.7163 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2258 -1.0506 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2003 -1.5185 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0371 -2.7401 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9854 -3.2949 1.4682 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1317 -2.6786 1.6883 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3498 -1.4859 1.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4175 -0.9065 0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5822 0.3634 -0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7327 1.0973 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8032 2.3690 -0.4882 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8099 3.3026 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6771 0.5388 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4904 -0.7375 1.3848 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6368 -0.5170 -2.1848 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7208 -0.1772 3.4512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9944 0.0591 2.9758 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4891 0.3001 1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8482 1.6845 -0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7363 0.2999 1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0024 2.0304 1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0646 2.3711 -1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0169 1.4151 -2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8231 0.0001 -2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8585 1.4046 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4370 -0.7505 -1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6872 -2.2091 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 -1.5853 -2.0122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0331 -0.9989 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0584 -2.1538 -1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1219 -3.3043 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8297 -4.2688 1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8383 0.7639 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8452 3.5918 0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8186 2.9248 -0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5285 4.2117 -0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5691 1.1311 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2456 -1.2021 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1941 -0.8223 -3.0232 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