2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C15H14ClF3N2O2 — CID 75447270

IUPAC2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(OCC(=O)N(C)CC(F)(F)F)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H14ClF3N2O2/c1-9-5-13(11-6-10(16)3-4-12(11)20-9)23-7-14(22)21(2)8-15(17,18)19/h3-6H,7-8H2,1-2H3
InChIKeyHVENVCGBOHAJJZ-UHFFFAOYSA-N
MW346.74 g/mol
LogP3.60
Rot. Bonds4

About 2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75447270) has the molecular formula C15H14ClF3N2O2 and a molecular weight of 346.74 g/mol. Its IUPAC name is 2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75447270
Molecular FormulaC15H14ClF3N2O2
Molecular Weight346.74 g/mol
Exact Mass346.07
IUPAC Name2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(OCC(=O)N(C)CC(F)(F)F)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H14ClF3N2O2/c1-9-5-13(11-6-10(16)3-4-12(11)20-9)23-7-14(22)21(2)8-15(17,18)19/h3-6H,7-8H2,1-2H3
InChIKeyHVENVCGBOHAJJZ-UHFFFAOYSA-N
XLogP3.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 75447270) is 2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(OCC(=O)N(C)CC(F)(F)F)c2cc(Cl)ccc2n1.
What is the InChIKey of 2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HVENVCGBOHAJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O2/c1-9-5-13(11-6-10(16)3-4-12(11)20-9)23-7-14(22)21(2)8-15(17,18)19/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 346.74 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylquinolin-4-yl)oxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75447270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).