N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide

C17H12ClN3O4 — CID 2373932

IUPACN-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O4/c18-11-3-1-4-12(9-11)20-16(22)10-25-15-7-6-14(21(23)24)13-5-2-8-19-17(13)15/h1-9H,10H2,(H,20,22)
InChIKeyPIRDFBGYQFUWCD-UHFFFAOYSA-N
MW357.75 g/mol
LogP3.81
Rot. Bonds5

About N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide

N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide (PubChem CID 2373932) has the molecular formula C17H12ClN3O4 and a molecular weight of 357.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
PubChem CID2373932
Molecular FormulaC17H12ClN3O4
Molecular Weight357.75 g/mol
Exact Mass357.05
IUPAC NameN-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O4/c18-11-3-1-4-12(9-11)20-16(22)10-25-15-7-6-14(21(23)24)13-5-2-8-19-17(13)15/h1-9H,10H2,(H,20,22)
InChIKeyPIRDFBGYQFUWCD-UHFFFAOYSA-N
XLogP3.81
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 53.81
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

2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853
N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23931205
N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23799987
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
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-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23912279
2-(5-chloroquinolin-8-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 8716362
2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide
CID 7991024
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
N-(3-chloro-4-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716349

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide (CID 2373932) is N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide is O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The InChIKey is PIRDFBGYQFUWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O4/c18-11-3-1-4-12(9-11)20-16(22)10-25-15-7-6-14(21(23)24)13-5-2-8-19-17(13)15/h1-9H,10H2,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide has a molecular weight of 357.75 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 2373932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).