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

C18H12N4O4 — CID 23799987

IUPACN-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESN#Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1
InChIInChI=1S/C18H12N4O4/c19-10-12-3-5-13(6-4-12)21-17(23)11-26-16-8-7-15(22(24)25)14-2-1-9-20-18(14)16/h1-9H,11H2,(H,21,23)
InChIKeyAELQYYCLMLTNMK-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.03
Rot. Bonds5

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

N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide (PubChem CID 23799987) has the molecular formula C18H12N4O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
PubChem CID23799987
Molecular FormulaC18H12N4O4
Molecular Weight348.32 g/mol
Exact Mass348.09
IUPAC NameN-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESN#Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1
InChIInChI=1S/C18H12N4O4/c19-10-12-3-5-13(6-4-12)21-17(23)11-26-16-8-7-15(22(24)25)14-2-1-9-20-18(14)16/h1-9H,11H2,(H,21,23)
InChIKeyAELQYYCLMLTNMK-UHFFFAOYSA-N
XLogP3.03
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
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-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23931205
2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853
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
N'-hydroxy-2-(5-nitroquinolin-8-yl)oxyethanimidamide
CID 71320044
[2-(4-cyanoanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 8765971
2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide
CID 133429749
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23912279
2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide
CID 7991024
tris[(5-nitroquinolin-8-yl)oxymethyl] phosphate
CID 166679929

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide (CID 23799987) is N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide is N#Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The InChIKey is AELQYYCLMLTNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O4/c19-10-12-3-5-13(6-4-12)21-17(23)11-26-16-8-7-15(22(24)25)14-2-1-9-20-18(14)16/h1-9H,11H2,(H,21,23).
What are the key properties of N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide has a molecular weight of 348.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 23799987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).