1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate

C19H21F3N2O3 — CID 67155677

IUPAC1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate
SMILESCC(=O)OC(C)C1CCCCN1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C19H21F3N2O3/c1-11(27-12(2)25)17-5-3-4-8-24(17)13-6-7-16-14(9-13)15(19(20,21)22)10-18(26)23-16/h6-7,9-11,17H,3-5,8H2,1-2H3,(H,23,26)
InChIKeyAYHWITKWFBOCCX-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.86
Rot. Bonds3

About 1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate

1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate (PubChem CID 67155677) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate.

Molecular Properties

Compound Name1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate
PubChem CID67155677
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate
SMILESCC(=O)OC(C)C1CCCCN1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C19H21F3N2O3/c1-11(27-12(2)25)17-5-3-4-8-24(17)13-6-7-16-14(9-13)15(19(20,21)22)10-18(26)23-16/h6-7,9-11,17H,3-5,8H2,1-2H3,(H,23,26)
InChIKeyAYHWITKWFBOCCX-UHFFFAOYSA-N
XLogP3.86
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate?
The IUPAC name of 1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate (CID 67155677) is 1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate.
What is the SMILES notation for 1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate?
The canonical SMILES for 1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate is CC(=O)OC(C)C1CCCCN1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate?
The InChIKey is AYHWITKWFBOCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-11(27-12(2)25)17-5-3-4-8-24(17)13-6-7-16-14(9-13)15(19(20,21)22)10-18(26)23-16/h6-7,9-11,17H,3-5,8H2,1-2H3,(H,23,26).
What are the key properties of 1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate?
1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate has a molecular weight of 382.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]ethyl acetate is sourced from PubChem (CID 67155677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).