2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide

C12H9F3N2O2 — CID 25174759

IUPAC2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide
SMILESNC(=O)Cc1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)6-1-2-9-8(3-6)10(18)4-7(17-9)5-11(16)19/h1-4H,5H2,(H2,16,19)(H,17,18)
InChIKeyUNSIJDWVNNGUAQ-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.57
Rot. Bonds2

About 2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide

2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide (PubChem CID 25174759) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide
PubChem CID25174759
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide
SMILESNC(=O)Cc1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)6-1-2-9-8(3-6)10(18)4-7(17-9)5-11(16)19/h1-4H,5H2,(H2,16,19)(H,17,18)
InChIKeyUNSIJDWVNNGUAQ-UHFFFAOYSA-N
XLogP1.57
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide?
The IUPAC name of 2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide (CID 25174759) is 2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide.
What is the SMILES notation for 2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide?
The canonical SMILES for 2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide is NC(=O)Cc1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide?
The InChIKey is UNSIJDWVNNGUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)6-1-2-9-8(3-6)10(18)4-7(17-9)5-11(16)19/h1-4H,5H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide?
2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide has a molecular weight of 270.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide is sourced from PubChem (CID 25174759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).