2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide

C16H16F3N3O3 — CID 151258808

IUPAC2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide
SMILESCOc1ccc(C2CCOCC2)c2ncc(NC(=O)C(F)(F)F)nc12
InChIInChI=1S/C16H16F3N3O3/c1-24-11-3-2-10(9-4-6-25-7-5-9)13-14(11)21-12(8-20-13)22-15(23)16(17,18)19/h2-3,8-9H,4-7H2,1H3,(H,21,22,23)
InChIKeyNTXPNJSGXHJLMB-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.03
Rot. Bonds3

About 2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide

2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide (PubChem CID 151258808) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide
PubChem CID151258808
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide
SMILESCOc1ccc(C2CCOCC2)c2ncc(NC(=O)C(F)(F)F)nc12
InChIInChI=1S/C16H16F3N3O3/c1-24-11-3-2-10(9-4-6-25-7-5-9)13-14(11)21-12(8-20-13)22-15(23)16(17,18)19/h2-3,8-9H,4-7H2,1H3,(H,21,22,23)
InChIKeyNTXPNJSGXHJLMB-UHFFFAOYSA-N
XLogP3.03
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide (CID 151258808) is 2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide is COc1ccc(C2CCOCC2)c2ncc(NC(=O)C(F)(F)F)nc12.
What is the InChIKey of 2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide?
The InChIKey is NTXPNJSGXHJLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-24-11-3-2-10(9-4-6-25-7-5-9)13-14(11)21-12(8-20-13)22-15(23)16(17,18)19/h2-3,8-9H,4-7H2,1H3,(H,21,22,23).
What are the key properties of 2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide?
2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide has a molecular weight of 355.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide is sourced from PubChem (CID 151258808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).