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
4.5218 -0.2424 2.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9895 -1.1356 1.3937 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7208 -1.1602 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8358 0.0562 0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7261 0.8472 -0.3739 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0916 1.1896 -0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7436 -0.0724 -1.2149 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9545 -1.2864 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5580 -1.3330 -1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0828 0.1171 -1.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3950 0.2364 -1.4582 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0865 1.1711 -0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6411 2.5051 -0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3933 3.4462 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5959 3.1426 0.7540 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0879 1.8732 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3268 0.9367 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7934 -0.3650 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9967 -0.7147 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3765 -2.0277 0.4202 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4858 -2.6723 0.9255 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7249 0.2473 1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3012 1.5682 1.2284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0770 -0.6063 -2.3088 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.4345 2.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0840 0.6925 2.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6344 -2.0446 1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1797 -2.0897 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8305 -0.2241 1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2520 0.7337 1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6467 1.6041 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0876 1.9815 -1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7489 -0.1835 -0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9684 -0.0414 -2.2926 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5222 -2.2152 -1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6211 -1.7473 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8801 -1.9424 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5862 0.4836 -2.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3817 1.1095 -2.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3430 2.7032 -0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0152 4.4354 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1848 -1.0956 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4453 -2.1851 0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4993 -3.7082 0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3247 -2.7581 2.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6872 0.0409 1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8914 2.3141 1.7285 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4300 -1.1499 -2.7540 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