2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide

C13H12F3N3O2 — CID 2107150

IUPAC2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc2ccccc2nc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H12F3N3O2/c1-8-12(19-10-5-3-2-4-9(10)18-8)21-6-11(20)17-7-13(14,15)16/h2-5H,6-7H2,1H3,(H,17,20)
InChIKeyLNSNZWZKTHBWRO-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.00
Rot. Bonds4

About 2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide

2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2107150) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2107150
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc2ccccc2nc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H12F3N3O2/c1-8-12(19-10-5-3-2-4-9(10)18-8)21-6-11(20)17-7-13(14,15)16/h2-5H,6-7H2,1H3,(H,17,20)
InChIKeyLNSNZWZKTHBWRO-UHFFFAOYSA-N
XLogP2.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide (CID 2107150) is 2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc2ccccc2nc1OCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LNSNZWZKTHBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-8-12(19-10-5-3-2-4-9(10)18-8)21-6-11(20)17-7-13(14,15)16/h2-5H,6-7H2,1H3,(H,17,20).
What are the key properties of 2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 299.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2107150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).