methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate

C13H10F3NO3 — CID 68783941

IUPACmethyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate
SMILESCOC(=O)Cn1c(=O)ccc2c(C(F)(F)F)cccc21
InChIInChI=1S/C13H10F3NO3/c1-20-12(19)7-17-10-4-2-3-9(13(14,15)16)8(10)5-6-11(17)18/h2-6H,7H2,1H3
InChIKeyJUKSSJRJGSNMOA-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.19
Rot. Bonds2

About methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate

methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate (PubChem CID 68783941) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate
PubChem CID68783941
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Namemethyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate
SMILESCOC(=O)Cn1c(=O)ccc2c(C(F)(F)F)cccc21
InChIInChI=1S/C13H10F3NO3/c1-20-12(19)7-17-10-4-2-3-9(13(14,15)16)8(10)5-6-11(17)18/h2-6H,7H2,1H3
InChIKeyJUKSSJRJGSNMOA-UHFFFAOYSA-N
XLogP2.19
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate?
The IUPAC name of methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate (CID 68783941) is methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate?
The canonical SMILES for methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate is COC(=O)Cn1c(=O)ccc2c(C(F)(F)F)cccc21.
What is the InChIKey of methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate?
The InChIKey is JUKSSJRJGSNMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c1-20-12(19)7-17-10-4-2-3-9(13(14,15)16)8(10)5-6-11(17)18/h2-6H,7H2,1H3.
What are the key properties of methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate?
methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate has a molecular weight of 285.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-5-(trifluoromethyl)quinolin-1-yl]acetate is sourced from PubChem (CID 68783941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).