ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate

C17H19F3N2O3 — CID 143627574

IUPACethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate
SMILESCC.CCOC(=O)CNC(=O)c1cccc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H13F3N2O3.C2H6/c1-2-23-13(21)8-19-14(22)10-4-3-5-11-9(10)6-7-12(20-11)15(16,17)18;1-2/h3-7H,2,8H2,1H3,(H,19,22);1-2H3
InChIKeyRJVXDOKOBCYJOQ-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.57
Rot. Bonds4

About ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate

ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate (PubChem CID 143627574) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate
PubChem CID143627574
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Nameethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate
SMILESCC.CCOC(=O)CNC(=O)c1cccc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H13F3N2O3.C2H6/c1-2-23-13(21)8-19-14(22)10-4-3-5-11-9(10)6-7-12(20-11)15(16,17)18;1-2/h3-7H,2,8H2,1H3,(H,19,22);1-2H3
InChIKeyRJVXDOKOBCYJOQ-UHFFFAOYSA-N
XLogP3.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
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CID 119382029

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate?
The IUPAC name of ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate (CID 143627574) is ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate.
What is the SMILES notation for ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate?
The canonical SMILES for ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate is CC.CCOC(=O)CNC(=O)c1cccc2nc(C(F)(F)F)ccc12.
What is the InChIKey of ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate?
The InChIKey is RJVXDOKOBCYJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3.C2H6/c1-2-23-13(21)8-19-14(22)10-4-3-5-11-9(10)6-7-12(20-11)15(16,17)18;1-2/h3-7H,2,8H2,1H3,(H,19,22);1-2H3.
What are the key properties of ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate?
ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate has a molecular weight of 356.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate is sourced from PubChem (CID 143627574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).