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

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

Formula: C27H29ClN2O3

SMILES: CCC1CN2CCC1CC2C(OC(=O)C1=CC=C(Cl)C=C1)C1=C2C=C(OC)C=CC2=NC=C1

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

InChI: InChI=1/C27H29ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3

Composition: C (69.74%), H (6.29%), Cl (7.62%), N (6.02%), O (10.32%)

Molar Mass: 464.99

Atom Count: 62

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	5
Exact Mass	464.1866705
Formal Charge	0
FSP3	0.41
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	TXVNNFDXQZFMBQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	129.28
Topological Polar Surface Area	51.66
Polarizability	51.98
Ring Count	5
Rotatable Bond Count	7

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C27H29ClN2O3		Quote Only