N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide

C17H12N4O6 — CID 23931205

IUPACN-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H12N4O6/c22-16(19-11-3-5-12(6-4-11)20(23)24)10-27-15-8-7-14(21(25)26)13-2-1-9-18-17(13)15/h1-9H,10H2,(H,19,22)
InChIKeyHYYNOMBJWAOTJZ-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.07
Rot. Bonds6

About N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide

N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide (PubChem CID 23931205) has the molecular formula C17H12N4O6 and a molecular weight of 368.31 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
PubChem CID23931205
Molecular FormulaC17H12N4O6
Molecular Weight368.31 g/mol
Exact Mass368.08
IUPAC NameN-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H12N4O6/c22-16(19-11-3-5-12(6-4-11)20(23)24)10-27-15-8-7-14(21(25)26)13-2-1-9-18-17(13)15/h1-9H,10H2,(H,19,22)
InChIKeyHYYNOMBJWAOTJZ-UHFFFAOYSA-N
XLogP3.07
TPSA137.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide 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

2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853
N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23799987
N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 2373932
N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23854456
N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 9450716
N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23987661
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N'-hydroxy-2-(5-nitroquinolin-8-yl)oxyethanimidamide
CID 71320044
2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide
CID 133429749
2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide
CID 8716261
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23912279
tris[(5-nitroquinolin-8-yl)oxymethyl] phosphate
CID 166679929

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The IUPAC name of N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide (CID 23931205) is N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide is O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The InChIKey is HYYNOMBJWAOTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O6/c22-16(19-11-3-5-12(6-4-11)20(23)24)10-27-15-8-7-14(21(25)26)13-2-1-9-18-17(13)15/h1-9H,10H2,(H,19,22).
What are the key properties of N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide has a molecular weight of 368.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 23931205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).