2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C19H18F3N3O2 — CID 2937951

IUPAC2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc2c(cc1C)NC(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)N2
InChIInChI=1S/C19H18F3N3O2/c1-10-7-14-15(8-11(10)2)25-18(27)16(24-14)9-17(26)23-13-5-3-12(4-6-13)19(20,21)22/h3-8,16,24H,9H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyZGIDNIDNAUCMNH-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.08
Rot. Bonds3

About 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 2937951) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID2937951
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc2c(cc1C)NC(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)N2
InChIInChI=1S/C19H18F3N3O2/c1-10-7-14-15(8-11(10)2)25-18(27)16(24-14)9-17(26)23-13-5-3-12(4-6-13)19(20,21)22/h3-8,16,24H,9H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyZGIDNIDNAUCMNH-UHFFFAOYSA-N
XLogP4.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 718022
N-(4-acetamidophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2946822
methyl 4-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]benzoate
CID 2910994
methyl 4-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]benzoate
CID 1073078
2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(3,5-dimethylphenyl)acetamide
CID 7195425
N-(3,4-dichlorophenyl)-2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 2242008
N-(3,4-dichlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2976181
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(3-methylphenyl)acetamide
CID 3149572
N-(3,5-dichlorophenyl)-2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 1093116
2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776316
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776317
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide
CID 2897145

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 2937951) is 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1cc2c(cc1C)NC(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)N2.
What is the InChIKey of 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZGIDNIDNAUCMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-10-7-14-15(8-11(10)2)25-18(27)16(24-14)9-17(26)23-13-5-3-12(4-6-13)19(20,21)22/h3-8,16,24H,9H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 377.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2937951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).