2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C21H19F3N4O3 — CID 53097799

IUPAC2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C21H19F3N4O3/c1-3-27(13(2)29)19-20(31)28(17-11-7-6-10-16(17)26-19)12-18(30)25-15-9-5-4-8-14(15)21(22,23)24/h4-11H,3,12H2,1-2H3,(H,25,30)
InChIKeyMTGJNBSUTSLZOJ-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.43
Rot. Bonds5

About 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 53097799) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID53097799
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C21H19F3N4O3/c1-3-27(13(2)29)19-20(31)28(17-11-7-6-10-16(17)26-19)12-18(30)25-15-9-5-4-8-14(15)21(22,23)24/h4-11H,3,12H2,1-2H3,(H,25,30)
InChIKeyMTGJNBSUTSLZOJ-UHFFFAOYSA-N
XLogP3.43
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 53097803
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-fluorophenyl)acetamide
CID 53097796
2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 53045857
2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53045916
2-[3-[acetyl-[(2-chlorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 53045954
N-[4-[2-(2-bromoanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097745
2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 53045873
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(4-ethylphenyl)acetamide
CID 53097720
2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53097850
2-[3-[acetyl(benzyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 53097867
2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 53045942
N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097759

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 53097799) is 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O.
What is the InChIKey of 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MTGJNBSUTSLZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-3-27(13(2)29)19-20(31)28(17-11-7-6-10-16(17)26-19)12-18(30)25-15-9-5-4-8-14(15)21(22,23)24/h4-11H,3,12H2,1-2H3,(H,25,30).
What are the key properties of 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 432.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53097799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).