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
5.3758 -0.3237 -2.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7076 0.1235 -1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3687 -0.3751 -0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3031 0.6805 -0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6998 0.9170 0.4748 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8283 1.2446 1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6658 0.0218 1.6584 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3683 -0.9971 0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9448 -1.4926 0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0794 -0.2586 0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3117 -0.5150 0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2450 0.5830 0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9606 1.6871 1.5291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9370 2.6339 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1822 2.5021 1.2679 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5079 1.4294 0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5444 0.4714 0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9354 -0.6184 -0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2217 -0.7412 -0.9704 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4977 -1.8763 -1.7247 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8212 -2.0044 -2.2385 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1589 0.2302 -0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8032 1.3137 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7205 -1.7147 1.0969 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9566 -1.0810 -2.8299 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3647 0.0411 -2.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1645 0.8763 -0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0709 -1.2030 -1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6924 1.6607 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4622 0.4080 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4850 1.6797 2.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4536 1.9663 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7511 0.2553 1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3172 -0.3888 2.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0642 -1.8718 0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9033 -2.1309 1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6675 -2.0736 -0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9570 -0.1125 2.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3136 -0.6272 -0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0429 1.7917 1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6648 3.4982 2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2053 -1.3872 -0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5191 -2.0139 -1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0887 -1.1723 -2.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9279 -2.9649 -2.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1554 0.0800 -1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5365 2.0822 0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4359 -2.5009 0.5517 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