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
-5.6673 1.2589 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9478 0.3822 -0.9353 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4911 0.3312 -0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9834 -0.9919 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 -0.7824 0.3754 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9535 -0.1763 1.6658 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9953 0.9062 1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9455 1.4008 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4419 1.4706 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9052 0.0439 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5417 0.0949 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2897 -1.1424 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8058 -2.3603 -0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5936 -3.4856 -0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9116 -3.4037 -0.3684 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4337 -2.2237 0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6492 -1.0960 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2562 0.0789 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5980 0.1295 0.8163 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1833 1.3202 1.2200 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5255 2.5429 1.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3502 -0.9965 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7918 -2.1929 0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0971 0.9656 -1.1560 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7658 1.2841 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2073 1.9946 0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4695 -0.3449 -1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0025 0.5231 -1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6646 -1.4247 0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8679 -1.6895 -1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3642 -0.9902 2.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0176 0.1863 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7186 1.7378 2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9816 0.5274 1.7502 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3373 2.4013 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9654 1.9382 0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2838 2.0818 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1295 -0.2157 -1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6777 0.6418 0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2236 -2.4570 -0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1975 -4.4408 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6887 0.9972 0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8790 2.7912 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 2.6578 2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3173 3.3471 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4066 -0.9675 1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3755 -3.0881 0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5115 0.4347 -1.8828 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