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
-4.1199 -1.7023 -0.9873 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3308 -0.4147 -1.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7552 0.5363 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9390 0.0070 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6972 0.7332 1.2530 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2503 2.0792 1.5934 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6517 2.6494 0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8692 1.5751 -0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5901 0.8118 -1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8083 0.9063 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5435 0.3899 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9352 -0.9786 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1290 -2.0959 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5956 -3.3945 0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9022 -3.6171 0.0971 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7360 -2.5663 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3016 -1.2388 0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2678 -0.2541 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6099 -0.5630 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5886 0.4178 -0.1968 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3058 1.7941 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0446 -1.8807 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0858 -2.8693 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1888 0.9817 1.3137 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6001 -2.3750 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5135 -2.2558 -0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9798 -0.0266 -1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6269 1.1735 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8743 -1.0657 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5513 0.2765 1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1282 1.9734 2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5018 2.6862 2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0300 3.4854 -0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6789 3.1003 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3503 2.0108 -1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -0.1934 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0279 1.2967 -1.9695 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6209 2.0505 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0925 0.9090 -0.6776 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9282 -1.9464 0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1120 -4.2034 0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0046 0.7869 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4863 1.9905 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1883 2.3560 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0627 2.1752 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0919 -2.1418 -0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4454 -3.8857 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7930 0.5164 2.0946 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