2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide

C17H13N3O4 — CID 23935853

IUPAC2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1
InChIInChI=1S/C17H13N3O4/c21-16(19-12-5-2-1-3-6-12)11-24-15-9-8-14(20(22)23)13-7-4-10-18-17(13)15/h1-10H,11H2,(H,19,21)
InChIKeyIHSDHMXLDQUSFV-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.16
Rot. Bonds5

About 2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide

2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide (PubChem CID 23935853) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
PubChem CID23935853
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1
InChIInChI=1S/C17H13N3O4/c21-16(19-12-5-2-1-3-6-12)11-24-15-9-8-14(20(22)23)13-7-4-10-18-17(13)15/h1-10H,11H2,(H,19,21)
InChIKeyIHSDHMXLDQUSFV-UHFFFAOYSA-N
XLogP3.16
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 2373932
N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23799987
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,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23738451
N'-hydroxy-2-(5-nitroquinolin-8-yl)oxyethanimidamide
CID 71320044
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23912279
(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
CID 97243367
tris[(5-nitroquinolin-8-yl)oxymethyl] phosphate
CID 166679929
8-(2-chloroethoxy)-5-nitroquinoline
CID 60863321

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide?
The IUPAC name of 2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide (CID 23935853) is 2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide.
What is the SMILES notation for 2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide?
The canonical SMILES for 2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide is O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1.
What is the InChIKey of 2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide?
The InChIKey is IHSDHMXLDQUSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-16(19-12-5-2-1-3-6-12)11-24-15-9-8-14(20(22)23)13-7-4-10-18-17(13)15/h1-10H,11H2,(H,19,21).
What are the key properties of 2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide?
2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide has a molecular weight of 323.31 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide is sourced from PubChem (CID 23935853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).