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
-4.3921 -0.1606 2.7328 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6239 -0.1033 1.4851 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8940 0.7189 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8973 1.7112 0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6610 1.5948 0.2431 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9982 1.9644 -1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7909 0.8062 -1.7144 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2735 -0.1221 -0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0213 -0.7511 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0224 0.3287 0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3185 0.2250 0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0667 -0.9626 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4993 -2.2641 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2809 -3.3418 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5655 -3.2679 -0.2936 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0934 -2.0554 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3785 -0.8896 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9797 0.3473 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2857 0.4376 -0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8430 1.6910 -0.8911 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1354 1.8771 -1.4335 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9472 -0.7235 -1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4177 -1.9642 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1222 0.2936 2.1292 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4322 -1.0649 3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2195 -0.2211 3.7437 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4554 -0.6935 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7362 1.2618 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3346 2.7371 0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8756 1.9017 2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0008 2.0275 -1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5080 2.9346 -1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6377 1.2423 -2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1873 0.2456 -2.4917 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9321 -0.8992 -1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2796 -1.0323 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 -1.6233 -0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6446 0.3812 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8361 1.2058 0.5563 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4703 -2.4363 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8226 -4.3359 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4798 1.2678 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0672 1.8198 -2.5606 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5719 2.8709 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8123 1.0857 -1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9642 -0.6516 -1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9210 -2.9134 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3943 -0.4996 2.4156 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