1-{5-ethyl-1-azabicyclo[2.2.2]octan-2-yl}-1-(6-methoxyquinolin-4-yl)methanamine trihydrochloride

1-{5-ethyl-1-azabicyclo[2.2.2]octan-2-yl}-1-(6-methoxyquinolin-4-yl)methanamine trihydrochloride

Formula: C20H30Cl3N3O

SMILES: Cl.Cl.Cl.CCC1CN2CCC1CC2C(N)C1=C2C=C(OC)C=CC2=NC=C1

IUPAC: 1-{5-ethyl-1-azabicyclo[2.2.2]octan-2-yl}-1-(6-methoxyquinolin-4-yl)methanamine trihydrochloride

InChI: InChI=1/C20H27N3O.3ClH/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18;;;/h4-6,8,11,13-14,19-20H,3,7,9-10,12,21H2,1-2H3;3*1H

Composition: C (55.24%), H (6.95%), Cl (24.46%), N (9.66%), O (3.68%)

Molar Mass: 434.83

Atom Count: 57

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	5
Exact Mass	433.1454457
Formal Charge	0
FSP3	0.55
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QINKDORAGBPFFS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.31
Topological Polar Surface Area	51.38
Polarizability	39.53
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C20H30Cl3N3O		Quote Only