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

C18H18N4O4 — CID 7079926

IUPACN-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1N=O
InChIInChI=1S/C18H18N4O4/c1-2-26-16-10-6-4-8-13(16)19-17(23)11-15-18(24)20-12-7-3-5-9-14(12)22(15)21-25/h3-10,15H,2,11H2,1H3,(H,19,23)(H,20,24)/t15-/m0/s1
InChIKeyYIANCSFSDVXWFE-HNNXBMFYSA-N
MW354.37 g/mol
LogP2.92
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 7079926) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID7079926
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1N=O
InChIInChI=1S/C18H18N4O4/c1-2-26-16-10-6-4-8-13(16)19-17(23)11-15-18(24)20-12-7-3-5-9-14(12)22(15)21-25/h3-10,15H,2,11H2,1H3,(H,19,23)(H,20,24)/t15-/m0/s1
InChIKeyYIANCSFSDVXWFE-HNNXBMFYSA-N
XLogP2.92
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 34307432
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-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 981741
2-[(2S)-1-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 34308248
N-(2-ethoxyphenyl)-2-[(6S)-5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902149
N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23797425
N-(2-ethoxyphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020279
N-(2-methoxyphenyl)-2-[(2R)-3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1098720
2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide
CID 23994290
methyl 2-[(2S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560991
3-(3,5-dioxopyrazolidin-4-yl)-N-(2-ethoxyphenyl)propanamide
CID 110703759
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 7079926) is N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1N=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is YIANCSFSDVXWFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-2-26-16-10-6-4-8-13(16)19-17(23)11-15-18(24)20-12-7-3-5-9-14(12)22(15)21-25/h3-10,15H,2,11H2,1H3,(H,19,23)(H,20,24)/t15-/m0/s1.
What are the key properties of N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 354.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 7079926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).