2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide

C25H20N4O7 — CID 21142426

IUPAC2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide
SMILESCOc1ccc(NC(=O)C(=O)Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]c2=O)c([NH+]([O-])O)c1
InChIInChI=1S/C25H20N4O7/c1-36-16-8-10-18(21(12-16)29(34)35)27-25(33)22(30)13-20-24(32)28-19-11-15(7-9-17(19)26-20)23(31)14-5-3-2-4-6-14/h2-12,29,34H,13H2,1H3,(H,27,33)(H,28,32)
InChIKeyWUUNITSKDSSWNM-UHFFFAOYSA-N
MW488.46 g/mol
LogP1.32
Rot. Bonds8

About 2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide

2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide (PubChem CID 21142426) has the molecular formula C25H20N4O7 and a molecular weight of 488.46 g/mol. Its IUPAC name is 2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide.

Molecular Properties

Compound Name2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide
PubChem CID21142426
Molecular FormulaC25H20N4O7
Molecular Weight488.46 g/mol
Exact Mass488.13
IUPAC Name2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide
SMILESCOc1ccc(NC(=O)C(=O)Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]c2=O)c([NH+]([O-])O)c1
InChIInChI=1S/C25H20N4O7/c1-36-16-8-10-18(21(12-16)29(34)35)27-25(33)22(30)13-20-24(32)28-19-11-15(7-9-17(19)26-20)23(31)14-5-3-2-4-6-14/h2-12,29,34H,13H2,1H3,(H,27,33)(H,28,32)
InChIKeyWUUNITSKDSSWNM-UHFFFAOYSA-N
XLogP1.32
TPSA165.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide 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

4-[[(2E)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidenepropanoyl]amino]-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
CID 20835224
3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide
CID 4113472
2-[[3-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-4-methoxy-2,4-dioxobutanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide
CID 21142278
3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-1-hydroxy-1-(2-methyl-5-nitroanilino)prop-1-en-2-olate
CID 135720612
[2-[[2-(dimethylamino)-5-methoxyphenyl]methylsulfinyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 57107128
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23943546
5-amino-2-[[3-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-4-methoxy-2,4-dioxobutanoyl]amino]-N-hydroxybenzeneamine oxide
CID 21157622
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-[2-(4-methoxyphenyl)-2-oxoethyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 91263108
2-[2-hydroxy-2-(3-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)-3-oxo-4H-quinoxaline-6-carboxamide
CID 136727404
3,7-dimethoxy-1H-quinoxalin-2-one
CID 130182707
N-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]acetamide
CID 18984570
N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815543

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide?
The IUPAC name of 2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide (CID 21142426) is 2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide.
What is the SMILES notation for 2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide?
The canonical SMILES for 2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide is COc1ccc(NC(=O)C(=O)Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]c2=O)c([NH+]([O-])O)c1.
What is the InChIKey of 2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide?
The InChIKey is WUUNITSKDSSWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O7/c1-36-16-8-10-18(21(12-16)29(34)35)27-25(33)22(30)13-20-24(32)28-19-11-15(7-9-17(19)26-20)23(31)14-5-3-2-4-6-14/h2-12,29,34H,13H2,1H3,(H,27,33)(H,28,32).
What are the key properties of 2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide?
2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide has a molecular weight of 488.46 g/mol, XLogP of 1.32, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-oxopropanoyl]amino]-N-hydroxy-5-methoxybenzeneamine oxide is sourced from PubChem (CID 21142426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).