2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide

C25H23N3O5 — CID 55750843

IUPAC2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)c(OC)c1
InChIInChI=1S/C25H23N3O5/c1-32-19-12-9-17(22(14-19)33-2)13-23(29)26-18-10-7-16(8-11-18)25(31)28-15-24(30)27-20-5-3-4-6-21(20)28/h3-12,14H,13,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyGGHDWKYLCFRIPM-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.48
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide

2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide (PubChem CID 55750843) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
PubChem CID55750843
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)c(OC)c1
InChIInChI=1S/C25H23N3O5/c1-32-19-12-9-17(22(14-19)33-2)13-23(29)26-18-10-7-16(8-11-18)25(31)28-15-24(30)27-20-5-3-4-6-21(20)28/h3-12,14H,13,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyGGHDWKYLCFRIPM-UHFFFAOYSA-N
XLogP3.48
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750751
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034
2-(2,5-dichlorophenoxy)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55751125
4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8845745
4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 30713300
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55751110
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798612
3-acetamido-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751098
4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356
2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide (CID 55750843) is 2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide?
The InChIKey is GGHDWKYLCFRIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-32-19-12-9-17(22(14-19)33-2)13-23(29)26-18-10-7-16(8-11-18)25(31)28-15-24(30)27-20-5-3-4-6-21(20)28/h3-12,14H,13,15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide has a molecular weight of 445.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 55750843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).