1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-[(2R)-2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one

2.1.2 InChI

InChI=1S/C23H26F3N3O3/c24-23(25,26)17-2-4-18(5-3-17)29-11-9-28(10-12-29)14-19(30)15-32-20-6-7-21-16(13-20)1-8-22(31)27-21/h2-7,13,19,30H,1,8-12,14-15H2,(H,27,31)/t19-/m1/s1

2.1.3 InChI Key

QJKYLYXHWSCZQT-LJQANCHMSA-N

2.2 Other Identifiers

2.2.1 UNII

125EX732LG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Np10679

2. 2914889-88-4

3. 125ex732lg

4. (r)-6-(2-hydroxy-3-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)propoxy)-3,4-dihydroquinolin-2(1h)-one

5. Refchem:166893

6. Orb1744162

7. Chembl5095254

8. Schembl30228906

9. Gtpl13847

10. Ex-a8860

11. 6-[(2r)-2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-3,4-dihydro-1h-quinolin-2-one

12. Hy-148825

13. Cs-0642087

2.4 Create Date

2022-02-16

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₆F₃N₃O₃
Molecular Weight	449.5 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	65
Heavy Atom Count	32
Formal Charge	0
Complexity	619
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Np-10679

Np-10679

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