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

C24H20N4O6 — CID 34307419

IUPACN-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C24H20N4O6/c1-34-18-11-9-16(10-12-18)25-22(29)14-21-23(30)26-19-7-2-3-8-20(19)27(21)24(31)15-5-4-6-17(13-15)28(32)33/h2-13,21H,14H2,1H3,(H,25,29)(H,26,30)/t21-/m0/s1
InChIKeyQXLUTCWESDDCCI-NRFANRHFSA-N
MW460.45 g/mol
LogP3.60
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 34307419) has the molecular formula C24H20N4O6 and a molecular weight of 460.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID34307419
Molecular FormulaC24H20N4O6
Molecular Weight460.45 g/mol
Exact Mass460.14
IUPAC NameN-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C24H20N4O6/c1-34-18-11-9-16(10-12-18)25-22(29)14-21-23(30)26-19-7-2-3-8-20(19)27(21)24(31)15-5-4-6-17(13-15)28(32)33/h2-13,21H,14H2,1H3,(H,25,29)(H,26,30)/t21-/m0/s1
InChIKeyQXLUTCWESDDCCI-NRFANRHFSA-N
XLogP3.60
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1289143
N-(4-ethoxyphenyl)-2-[1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 2951013
ethyl 4-[[2-[(2R)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetyl]amino]benzoate
CID 34316380
N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311037
N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34307056
2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide
CID 1288963
2-[1-[2-(4-methoxyphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 23793651
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551628
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551629
2-[(2S)-1-(3,4-dimethoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 34310201
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316362
N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23764661

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 34307419) is N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is QXLUTCWESDDCCI-NRFANRHFSA-N. The full InChI is InChI=1S/C24H20N4O6/c1-34-18-11-9-16(10-12-18)25-22(29)14-21-23(30)26-19-7-2-3-8-20(19)27(21)24(31)15-5-4-6-17(13-15)28(32)33/h2-13,21H,14H2,1H3,(H,25,29)(H,26,30)/t21-/m0/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 460.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 34307419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).