1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one

C24H24F3N3O3 — CID 3239129

IUPAC1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one
SMILESCCn1c(=O)cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21
InChIInChI=1S/C24H24F3N3O3/c1-2-30-20-9-4-3-8-19(20)21(15-22(30)31)33-16-23(32)29-12-10-28(11-13-29)18-7-5-6-17(14-18)24(25,26)27/h3-9,14-15H,2,10-13,16H2,1H3
InChIKeySECJZZDRHZZTJV-UHFFFAOYSA-N
MW459.47 g/mol
LogP3.77
Rot. Bonds5

About 1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one

1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one (PubChem CID 3239129) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is 1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one
PubChem CID3239129
Molecular FormulaC24H24F3N3O3
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC Name1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one
SMILESCCn1c(=O)cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21
InChIInChI=1S/C24H24F3N3O3/c1-2-30-20-9-4-3-8-19(20)21(15-22(30)31)33-16-23(32)29-12-10-28(11-13-29)18-7-5-6-17(14-18)24(25,26)27/h3-9,14-15H,2,10-13,16H2,1H3
InChIKeySECJZZDRHZZTJV-UHFFFAOYSA-N
XLogP3.77
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one?
The IUPAC name of 1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one (CID 3239129) is 1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one.
What is the SMILES notation for 1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one?
The canonical SMILES for 1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one is CCn1c(=O)cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one?
The InChIKey is SECJZZDRHZZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-2-30-20-9-4-3-8-19(20)21(15-22(30)31)33-16-23(32)29-12-10-28(11-13-29)18-7-5-6-17(14-18)24(25,26)27/h3-9,14-15H,2,10-13,16H2,1H3.
What are the key properties of 1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one?
1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one has a molecular weight of 459.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]quinolin-2-one is sourced from PubChem (CID 3239129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).