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
-4.2901 -0.6499 2.8303 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0101 -1.0237 1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8029 -0.5076 0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9023 -1.6468 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4374 -1.4467 -0.9114 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5533 -1.7029 -1.8058 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6561 -0.7556 -1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1739 0.2387 -0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8924 0.9326 -0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8897 -0.1021 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4635 -0.0048 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2965 1.1467 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8253 2.2356 -1.5434 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6963 3.3008 -1.7379 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9530 3.2680 -1.2561 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4050 2.1994 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6006 1.1069 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1228 0.0357 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4171 0.0410 0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8998 -1.0348 1.5353 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0912 -2.1527 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2254 1.1269 0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6989 2.1868 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3250 -0.1937 0.8102 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6337 0.0392 3.3371 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1579 -1.0118 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6436 -1.7215 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2667 0.1666 1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1834 -1.9108 1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6049 -2.5340 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8750 -2.7490 -1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2734 -1.5823 -2.8706 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0938 -0.2219 -2.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5064 -1.3056 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9899 0.9717 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6220 1.6544 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3019 1.4542 -1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7532 -0.1000 -2.2948 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0847 -0.9124 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1742 2.2936 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3089 4.1559 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4989 -0.8257 0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6270 -2.8181 2.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1405 -1.8561 2.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7745 -2.6324 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2632 1.1694 0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3021 3.0812 -0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6682 0.5977 1.3078 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