(R)-[(2R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

PubChem CID: 45479755

Connections displayed (default: 10).

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Compound Synonyms	HYDROQUININE, MLS002207156, CHEMBL2355802, SMR001306733, BRD-A96933311-337-01-4
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	3.0
Uniprot Id	Q9NUW8, Q03431
Iupac Name	(R)-[(2R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Prediction Hob	1.0
Xlogp	3.1
Molecular Formula	C20H26N2O2
Prediction Swissadme	1.0
Inchi Key	LJOQGZACKSYWCH-DMHQBCLBSA-N
Fcsp3	0.55
Logs	-3.004
Rotatable Bond Count	4.0
Logd	2.724
Compound Name	(R)-[(2R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-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+/m0/s1
Smiles	CC[C@H]1CN2CCC1C[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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(R)-[(2R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

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Phytochemical Properties

Associated Connections 58

Plant Connections 58