2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide

C21H21ClN4O3 — CID 53097803

IUPAC2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O
InChIInChI=1S/C21H21ClN4O3/c1-4-25(14(3)27)20-21(29)26(18-11-6-5-9-17(18)24-20)12-19(28)23-16-10-7-8-15(22)13(16)2/h5-11H,4,12H2,1-3H3,(H,23,28)
InChIKeyLAZHKCDTZPPAJV-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.37
Rot. Bonds5

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

2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 53097803) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID53097803
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O
InChIInChI=1S/C21H21ClN4O3/c1-4-25(14(3)27)20-21(29)26(18-11-6-5-9-17(18)24-20)12-19(28)23-16-10-7-8-15(22)13(16)2/h5-11H,4,12H2,1-3H3,(H,23,28)
InChIKeyLAZHKCDTZPPAJV-UHFFFAOYSA-N
XLogP3.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097759
(2S)-2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)butanamide
CID 95081170
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53097799
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-fluorophenyl)acetamide
CID 53097796
2-[3-[acetyl-[(2-chlorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 53045954
N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808152
2-[3-[acetyl-[(2-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 53045857
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-fluorophenyl)acetamide
CID 53045916
N-[4-[2-(2-bromoanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097745
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 53045873

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide (CID 53097803) is 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide is CCN(C(C)=O)c1nc2ccccc2n(CC(=O)Nc2cccc(Cl)c2C)c1=O.
What is the InChIKey of 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is LAZHKCDTZPPAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-4-25(14(3)27)20-21(29)26(18-11-6-5-9-17(18)24-20)12-19(28)23-16-10-7-8-15(22)13(16)2/h5-11H,4,12H2,1-3H3,(H,23,28).
What are the key properties of 2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide?
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 412.88 g/mol, XLogP of 3.37, 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-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 53097803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).