ethyl 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-(trifluoromethyl)quinoline-3-carboxylate

ethyl 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-(trifluoromethyl)quinoline-3-carboxylate

CAS: 338748-33-7

Formula: C23H21ClF3N3O2

SMILES: CCOC(=O)C1=C(N2CCN(CC2)C2=CC=C(Cl)C=C2)C2=CC(=CC=C2N=C1)C(F)(F)F

IUPAC: ethyl 4-[4-(4-chlorophenyl)piperazin-1-yl]-6-(trifluoromethyl)quinoline-3-carboxylate

InChI: InChI=1S/C23H21ClF3N3O2/c1-2-32-22(31)19-14-28-20-8-3-15(23(25,26)27)13-18(20)21(19)30-11-9-29(10-12-30)17-6-4-16(24)5-7-17/h3-8,13-14H,2,9-12H2,1H3

Composition: C (59.55%), H (4.56%), Cl (7.64%), F (12.29%), N (9.06%), O (6.90%)

Molar Mass: 463.89

Atom Count: 53

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	463.1274391
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LRNBDTCGIFOIAB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	118.51
Topological Polar Surface Area	45.67
Polarizability	44.58
Ring Count	4
Rotatable Bond Count	6

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90%	<2 Days	338748-33-7		$51.35-$86.31$51.35$63.37$86.31