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
-3.7781 -0.0050 -2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9259 -0.0071 -1.7431 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1185 -0.9460 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9241 -1.8483 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3419 -1.6460 0.9272 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3144 -2.0538 1.9335 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4613 -1.0673 1.8639 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2967 -0.1552 0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0347 0.6497 0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9085 -0.2608 1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4010 -0.0396 0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1608 1.1647 0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6615 2.2319 1.4852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4605 3.3457 1.6209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7017 3.3955 1.0750 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1896 2.3462 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4426 1.1983 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9813 0.1457 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2433 0.1777 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7744 -0.8858 -1.7798 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0007 -2.0581 -1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9819 1.3292 -0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4595 2.3926 -0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2486 -0.2272 -0.8288 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6413 0.6740 -3.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6409 -0.6866 -2.8113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1090 0.7092 -1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0304 -1.5477 -0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2623 -1.8929 -1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3621 -2.8999 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6838 -3.0586 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8693 -2.1250 2.9465 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3630 -0.4094 2.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4020 -1.6200 1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2007 0.4850 0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8891 1.3428 0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3582 1.2376 1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7522 -0.2582 2.3076 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0976 -0.9057 0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3117 2.2528 1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1093 4.2107 2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4343 -0.7678 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1601 -1.8943 -2.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5744 -2.4210 -0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6213 -2.9039 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9797 1.3573 -1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0315 3.2999 -0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 0.6444 -1.3040 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