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
5.0045 2.1475 1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8952 1.5515 0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8999 0.1781 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4561 0.0824 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1775 -0.6256 -1.4143 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4258 -1.9906 -1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9627 -2.0817 0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9884 -0.6716 0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5829 -0.1451 0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2554 0.0894 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1650 -0.3128 -0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1546 0.7665 -0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 2.0075 -1.4411 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7157 3.0175 -1.5785 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9786 2.8683 -1.2014 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3817 1.7095 -0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4845 0.6579 -0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9023 -0.5090 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2129 -0.6607 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5011 -1.8782 1.1335 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7695 -2.1712 1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0886 0.3857 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6937 1.5647 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4638 -1.5961 -0.7129 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0041 3.1496 1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9412 1.6016 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9966 2.1485 0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9397 -0.2253 0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3221 1.0599 -1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1749 -0.5062 -1.9977 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2357 -2.3587 -1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 -2.6505 -1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2352 -2.6606 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9485 -2.5800 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4063 -0.6459 1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5066 0.7535 1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9564 -0.9445 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3803 1.1559 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0077 -0.3384 -2.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2127 2.1377 -1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3494 3.9598 -2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1980 -1.2964 0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0268 -3.2533 1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5817 -1.6278 1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7308 -1.8744 2.7384 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0971 0.2541 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3505 2.3986 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8147 -2.0410 -1.5111 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