2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide

C16H18F3N3O3 — CID 50761211

IUPAC2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21
InChIInChI=1S/C16H18F3N3O3/c1-9-6-11-12(7-10(9)2)22(8-13(23)20-4-5-25-3)15(24)14(21-11)16(17,18)19/h6-7H,4-5,8H2,1-3H3,(H,20,23)
InChIKeyGLXFPVHLHHHNAC-UHFFFAOYSA-N
MW357.33 g/mol
LogP1.79
Rot. Bonds5

About 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide

2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 50761211) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID50761211
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21
InChIInChI=1S/C16H18F3N3O3/c1-9-6-11-12(7-10(9)2)22(8-13(23)20-4-5-25-3)15(24)14(21-11)16(17,18)19/h6-7H,4-5,8H2,1-3H3,(H,20,23)
InChIKeyGLXFPVHLHHHNAC-UHFFFAOYSA-N
XLogP1.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 50760750
2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 42810621
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(4-fluorophenyl)-N-methylacetamide
CID 50760712
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516
(2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 92865168
N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028528
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
CID 92887446
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295554
N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768123
N-(5-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284672
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295540
N-(2,6-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284677

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide (CID 50761211) is 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21.
What is the InChIKey of 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is GLXFPVHLHHHNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-9-6-11-12(7-10(9)2)22(8-13(23)20-4-5-25-3)15(24)14(21-11)16(17,18)19/h6-7H,4-5,8H2,1-3H3,(H,20,23).
What are the key properties of 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 357.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 50761211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).