5-chloro-7-[(4-ethylpiperazin-1-yl)(pyridin-3-yl)methyl]quinolin-8-ol; bis(trifluoroacetic acid)

5-chloro-7-[(4-ethylpiperazin-1-yl)(pyridin-3-yl)methyl]quinolin-8-ol; bis(trifluoroacetic acid)

Formula: C25H25ClF6N4O5

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCN1CCN(CC1)C(C1=CN=CC=C1)C1=C(O)C2=NC=CC=C2C(Cl)=C1

IUPAC: 5-chloro-7-[(4-ethylpiperazin-1-yl)(pyridin-3-yl)methyl]quinolin-8-ol; bis(trifluoroacetic acid)

InChI: InChI=1/C21H23ClN4O.2C2HF3O2/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27;23-2(4,5)1(6)7/h3-8,13-14,20,27H,2,9-12H2,1H3;2(H,6,7)

Composition: C (49.15%), H (4.12%), Cl (5.80%), F (18.66%), N (9.17%), O (13.09%)

Molar Mass: 610.94

Atom Count: 66

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	610.1417666
Formal Charge	0
FSP3	0.36
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LTJCVYFLZPEFLV-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	108.23
Topological Polar Surface Area	52.49
Polarizability	43.33
Ring Count	4
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C25H25ClF6N4O5		Quote Only