2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide

C17H19F3N2O3 — CID 42877957

IUPAC2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide
SMILESCCn1c(=O)cc(C(F)(F)F)c2ccc(OCC(=O)NC(C)C)cc21
InChIInChI=1S/C17H19F3N2O3/c1-4-22-14-7-11(25-9-15(23)21-10(2)3)5-6-12(14)13(8-16(22)24)17(18,19)20/h5-8,10H,4,9H2,1-3H3,(H,21,23)
InChIKeyNEMDCSQTLMTTSW-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.94
Rot. Bonds5

About 2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide

2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide (PubChem CID 42877957) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide
PubChem CID42877957
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide
SMILESCCn1c(=O)cc(C(F)(F)F)c2ccc(OCC(=O)NC(C)C)cc21
InChIInChI=1S/C17H19F3N2O3/c1-4-22-14-7-11(25-9-15(23)21-10(2)3)5-6-12(14)13(8-16(22)24)17(18,19)20/h5-8,10H,4,9H2,1-3H3,(H,21,23)
InChIKeyNEMDCSQTLMTTSW-UHFFFAOYSA-N
XLogP2.94
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-propan-2-ylacetamide
CID 29405533
N-cyclopropyl-2-(1-ethyl-2-oxo-4-propan-2-ylquinolin-7-yl)oxyacetamide
CID 42690310
2-[3-amino-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
CID 171392196
N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide
CID 42877975
2-(1-ethyl-4-methyl-2-oxoquinolin-7-yl)oxy-N-phenylacetamide
CID 42690240
2-(1-ethyl-4-methyl-2-oxoquinolin-7-yl)oxy-N-(2-fluorophenyl)acetamide
CID 42690239
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
CID 61389475
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
CID 84602074
4-[2-oxo-2-(propan-2-ylamino)ethoxy]-3-(trifluoromethyl)benzoic acid
CID 63320445
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
N-(2-methylbutan-2-yl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 36555062
N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 24606264

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide (CID 42877957) is 2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide is CCn1c(=O)cc(C(F)(F)F)c2ccc(OCC(=O)NC(C)C)cc21.
What is the InChIKey of 2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide?
The InChIKey is NEMDCSQTLMTTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-4-22-14-7-11(25-9-15(23)21-10(2)3)5-6-12(14)13(8-16(22)24)17(18,19)20/h5-8,10H,4,9H2,1-3H3,(H,21,23).
What are the key properties of 2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide?
2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide has a molecular weight of 356.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxy-N-propan-2-ylacetamide is sourced from PubChem (CID 42877957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).