2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C22H21F3N4O3 — CID 2110321

IUPAC2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc2ccccc2nc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C22H21F3N4O3/c1-14-21(28-17-5-3-2-4-16(17)26-14)32-13-20(30)27-18-12-15(22(23,24)25)6-7-19(18)29-8-10-31-11-9-29/h2-7,12H,8-11,13H2,1H3,(H,27,30)
InChIKeyXZZTZQYYOASIFV-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.81
Rot. Bonds5

About 2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 2110321) has the molecular formula C22H21F3N4O3 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID2110321
Molecular FormulaC22H21F3N4O3
Molecular Weight446.43 g/mol
Exact Mass446.16
IUPAC Name2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc2ccccc2nc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C22H21F3N4O3/c1-14-21(28-17-5-3-2-4-16(17)26-14)32-13-20(30)27-18-12-15(22(23,24)25)6-7-19(18)29-8-10-31-11-9-29/h2-7,12H,8-11,13H2,1H3,(H,27,30)
InChIKeyXZZTZQYYOASIFV-UHFFFAOYSA-N
XLogP3.81
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 2110321) is 2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is Cc1nc2ccccc2nc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XZZTZQYYOASIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3/c1-14-21(28-17-5-3-2-4-16(17)26-14)32-13-20(30)27-18-12-15(22(23,24)25)6-7-19(18)29-8-10-31-11-9-29/h2-7,12H,8-11,13H2,1H3,(H,27,30).
What are the key properties of 2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 446.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2110321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).