N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide

C12H8F4N2O2 — CID 151694123

IUPACN-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide
SMILESCC(=O)Nn1c(=O)ccc2cc(C(F)(F)F)c(F)cc21
InChIInChI=1S/C12H8F4N2O2/c1-6(19)17-18-10-5-9(13)8(12(14,15)16)4-7(10)2-3-11(18)20/h2-5H,1H3,(H,17,19)
InChIKeyRDEPPLAPTQOIRK-UHFFFAOYSA-N
MW288.20 g/mol
LogP2.25
Rot. Bonds1

About N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide

N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide (PubChem CID 151694123) has the molecular formula C12H8F4N2O2 and a molecular weight of 288.20 g/mol. Its IUPAC name is N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide
PubChem CID151694123
Molecular FormulaC12H8F4N2O2
Molecular Weight288.20 g/mol
Exact Mass288.05
IUPAC NameN-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide
SMILESCC(=O)Nn1c(=O)ccc2cc(C(F)(F)F)c(F)cc21
InChIInChI=1S/C12H8F4N2O2/c1-6(19)17-18-10-5-9(13)8(12(14,15)16)4-7(10)2-3-11(18)20/h2-5H,1H3,(H,17,19)
InChIKeyRDEPPLAPTQOIRK-UHFFFAOYSA-N
XLogP2.25
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide?
The IUPAC name of N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide (CID 151694123) is N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide is CC(=O)Nn1c(=O)ccc2cc(C(F)(F)F)c(F)cc21.
What is the InChIKey of N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide?
The InChIKey is RDEPPLAPTQOIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O2/c1-6(19)17-18-10-5-9(13)8(12(14,15)16)4-7(10)2-3-11(18)20/h2-5H,1H3,(H,17,19).
What are the key properties of N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide?
N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide has a molecular weight of 288.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 151694123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).