2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide

C12H9F3N2O2 — CID 43840095

IUPAC2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide
SMILESNC(=O)Cn1ccc(=O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)8-3-1-2-7-9(18)4-5-17(11(7)8)6-10(16)19/h1-5H,6H2,(H2,16,19)
InChIKeyGSPNVFBNOPNSCM-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.51
Rot. Bonds2

About 2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide

2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide (PubChem CID 43840095) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide
PubChem CID43840095
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide
SMILESNC(=O)Cn1ccc(=O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)8-3-1-2-7-9(18)4-5-17(11(7)8)6-10(16)19/h1-5H,6H2,(H2,16,19)
InChIKeyGSPNVFBNOPNSCM-UHFFFAOYSA-N
XLogP1.51
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide?
The IUPAC name of 2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide (CID 43840095) is 2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide.
What is the SMILES notation for 2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide?
The canonical SMILES for 2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide is NC(=O)Cn1ccc(=O)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide?
The InChIKey is GSPNVFBNOPNSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)8-3-1-2-7-9(18)4-5-17(11(7)8)6-10(16)19/h1-5H,6H2,(H2,16,19).
What are the key properties of 2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide?
2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide has a molecular weight of 270.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-8-(trifluoromethyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 43840095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).