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
-4.8564 1.1793 1.6099 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4693 1.5968 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6801 0.8078 -0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5030 1.5476 -1.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3551 0.5958 -1.2361 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8682 -0.4604 -2.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8939 -1.3343 -1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2890 -0.5591 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0077 -0.5332 0.7922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9969 0.3576 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4199 0.1994 0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2502 -0.8331 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -1.9853 -0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5717 -3.0020 -1.1496 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8848 -2.8188 -1.1153 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4411 -1.7142 -0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6492 -0.7071 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3081 0.3853 0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7011 0.4847 0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3363 1.5879 0.9114 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5767 2.6410 1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4685 -0.5433 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8157 -1.6424 -0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3799 0.0430 1.9301 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4260 1.8283 2.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6212 0.1902 1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7642 2.6351 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4390 0.5960 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2336 2.3510 -0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7808 1.9383 -2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4414 0.0363 -2.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1117 -1.0603 -2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8268 -1.4345 -1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5551 -2.3445 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0743 -1.0829 0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7170 -1.5597 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3359 -0.1264 1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2550 1.3977 0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9385 1.2137 0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2637 -2.1978 -0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1193 -3.8874 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7168 1.1814 0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7606 2.9225 0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1589 2.3957 2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2944 3.5145 1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5435 -0.4408 -0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4470 -2.4199 -1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2062 -0.9397 2.0243 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