2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide

C25H23N3O4 — CID 34307432

IUPAC2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C25H23N3O4/c1-2-32-22-15-9-7-13-19(22)26-23(29)16-21-24(30)27-18-12-6-8-14-20(18)28(21)25(31)17-10-4-3-5-11-17/h3-15,21H,2,16H2,1H3,(H,26,29)(H,27,30)/t21-/m0/s1
InChIKeyNIGYDINQSYWLPU-NRFANRHFSA-N
MW429.48 g/mol
LogP4.08
Rot. Bonds6

About 2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide

2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 34307432) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID34307432
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C25H23N3O4/c1-2-32-22-15-9-7-13-19(22)26-23(29)16-21-24(30)27-18-12-6-8-14-20(18)28(21)25(31)17-10-4-3-5-11-17/h3-15,21H,2,16H2,1H3,(H,26,29)(H,27,30)/t21-/m0/s1
InChIKeyNIGYDINQSYWLPU-NRFANRHFSA-N
XLogP4.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23958803
N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 7079926
2-[(2S)-1-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 34308248
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551628
2-[(2S)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35043810
N-(2-ethoxyphenyl)-2-[(2S)-1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 981741
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316362
2-[(2S)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35042843
N-(4-fluorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1285370
ethyl 4-[[2-[(2R)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetyl]amino]benzoate
CID 34316902
N-(4-methylphenyl)-2-[(2R)-3-oxo-1-(4-propoxybenzoyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311344
N-(4-ethoxyphenyl)-2-[1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 2951013

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide (CID 34307432) is 2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1.
What is the InChIKey of 2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is NIGYDINQSYWLPU-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-2-32-22-15-9-7-13-19(22)26-23(29)16-21-24(30)27-18-12-6-8-14-20(18)28(21)25(31)17-10-4-3-5-11-17/h3-15,21H,2,16H2,1H3,(H,26,29)(H,27,30)/t21-/m0/s1.
What are the key properties of 2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide?
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 429.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 34307432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).