1-[2-(4-chlorophenoxy)pyridin-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline

1-[2-(4-chlorophenoxy)pyridin-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline

CAS: 1023554-63-3

Formula: C22H19ClN2O3

SMILES: COC1=CC2=C(C=C1OC)C(=NCC2)C1=CC=CN=C1OC1=CC=C(Cl)C=C1

IUPAC: 1-[2-(4-chlorophenoxy)pyridin-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline

InChI: InChI=1S/C22H19ClN2O3/c1-26-19-12-14-9-11-24-21(18(14)13-20(19)27-2)17-4-3-10-25-22(17)28-16-7-5-15(23)6-8-16/h3-8,10,12-13H,9,11H2,1-2H3

Composition: C (66.92%), H (4.85%), Cl (8.98%), N (7.09%), O (12.16%)

Molar Mass: 394.86

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	394.1084202
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DDIGZUUAGLRWOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.03
Topological Polar Surface Area	52.94
Polarizability	41.67
Ring Count	4
Rotatable Bond Count	5

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90%	<2 Days	1023554-63-3		$51.35-$86.31$51.35$63.37$86.31