(1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol

PubChem CID: 6916040

Connections displayed (default: 10).

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Compound Synonyms	hydroquinidine, CHEMBL1436416, SCHEMBL23509584, (1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol, SMP1_000157, NCGC00142460-01, BP-12998
Topological Polar Surface Area	45.6
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	24.0
Isotope Atom Count	0.0
Molecular Complexity	432.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Uniprot Id	Q03164, Q99714, B2RXH2, P00352, P15428, P08684, Q9NUW8
Iupac Name	(R)-[(2S,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Prediction Hob	1.0
Target Id	NPT149, NPT48, NPT94, NPT151, NPT109
Xlogp	3.1
Molecular Formula	C20H26N2O2
Prediction Swissadme	1.0
Inchi Key	LJOQGZACKSYWCH-VPCNSNALSA-N
Fcsp3	0.55
Logs	-3.335
Rotatable Bond Count	4.0
Logd	3.049
Compound Name	(1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol
Prediction Hob Swissadme	1.0
Exact Mass	326.199
Formal Charge	0.0
Monoisotopic Mass	326.199
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	326.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Esol	-3.8801613333333336
Inchi	InChI=1S/C20H26N2O2/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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19+,20-/m1/s1
Smiles	CC[C@@H]1CN2CC[C@@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)O
Nring	5.0
Defined Bond Stereocenter Count	0.0

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(1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol

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Phytochemical Properties

Associated Connections 71

Plant Connections 71