ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate

C16H17F3N2O5S — CID 101112870

IUPACethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate
SMILESCCOC(=O)COc1cc(NS(=O)(=O)CC(F)(F)F)c2nc(C)ccc2c1
InChIInChI=1S/C16H17F3N2O5S/c1-3-25-14(22)8-26-12-6-11-5-4-10(2)20-15(11)13(7-12)21-27(23,24)9-16(17,18)19/h4-7,21H,3,8-9H2,1-2H3
InChIKeyPIKNPHGEFKSNEO-UHFFFAOYSA-N
MW406.38 g/mol
LogP2.79
Rot. Bonds7

About ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate

ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate (PubChem CID 101112870) has the molecular formula C16H17F3N2O5S and a molecular weight of 406.38 g/mol. Its IUPAC name is ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate
PubChem CID101112870
Molecular FormulaC16H17F3N2O5S
Molecular Weight406.38 g/mol
Exact Mass406.08
IUPAC Nameethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate
SMILESCCOC(=O)COc1cc(NS(=O)(=O)CC(F)(F)F)c2nc(C)ccc2c1
InChIInChI=1S/C16H17F3N2O5S/c1-3-25-14(22)8-26-12-6-11-5-4-10(2)20-15(11)13(7-12)21-27(23,24)9-16(17,18)19/h4-7,21H,3,8-9H2,1-2H3
InChIKeyPIKNPHGEFKSNEO-UHFFFAOYSA-N
XLogP2.79
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate
CID 4572869
ethyl 2-[2-methyl-8-[(4-methylphenyl)sulfonyl-oxidoamino]quinolin-6-yl]oxyacetate
CID 118455351
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
CID 25158140
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 2-isoquinolin-6-yloxyacetate
CID 138975938
ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151521
methyl 6-fluoro-4-(2,2,2-trifluoroethylsulfonylamino)pyridine-3-carboxylate
CID 167859676
N-(2-methylquinolin-8-yl)ethanesulfonamide
CID 64584373
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79169666
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate?
The IUPAC name of ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate (CID 101112870) is ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate?
The canonical SMILES for ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate is CCOC(=O)COc1cc(NS(=O)(=O)CC(F)(F)F)c2nc(C)ccc2c1.
What is the InChIKey of ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate?
The InChIKey is PIKNPHGEFKSNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O5S/c1-3-25-14(22)8-26-12-6-11-5-4-10(2)20-15(11)13(7-12)21-27(23,24)9-16(17,18)19/h4-7,21H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate?
ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate has a molecular weight of 406.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate is sourced from PubChem (CID 101112870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).