2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide

C14H13F3N2O3 — CID 19850156

IUPAC2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)C(F)(F)F)c2ccc(=O)[nH]c12
InChIInChI=1S/C14H13F3N2O3/c1-22-10-4-2-8(6-7-18-13(21)14(15,16)17)9-3-5-11(20)19-12(9)10/h2-5H,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyVCMAPAITQXKWKU-UHFFFAOYSA-N
MW314.26 g/mol
LogP1.76
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide (PubChem CID 19850156) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide
PubChem CID19850156
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)C(F)(F)F)c2ccc(=O)[nH]c12
InChIInChI=1S/C14H13F3N2O3/c1-22-10-4-2-8(6-7-18-13(21)14(15,16)17)9-3-5-11(20)19-12(9)10/h2-5H,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyVCMAPAITQXKWKU-UHFFFAOYSA-N
XLogP1.76
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide (CID 19850156) is 2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide is COc1ccc(CCNC(=O)C(F)(F)F)c2ccc(=O)[nH]c12.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide?
The InChIKey is VCMAPAITQXKWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-22-10-4-2-8(6-7-18-13(21)14(15,16)17)9-3-5-11(20)19-12(9)10/h2-5H,6-7H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide has a molecular weight of 314.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]acetamide is sourced from PubChem (CID 19850156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).