N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide

C24H19N3O4 — CID 9450716

IUPACN-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H19N3O4/c28-23(26-20-11-5-4-9-18(20)15-17-7-2-1-3-8-17)16-31-22-13-12-21(27(29)30)19-10-6-14-25-24(19)22/h1-14H,15-16H2,(H,26,28)
InChIKeyBXMSOUGGDLMRMD-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.75
Rot. Bonds7

About N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide

N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide (PubChem CID 9450716) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
PubChem CID9450716
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC NameN-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H19N3O4/c28-23(26-20-11-5-4-9-18(20)15-17-7-2-1-3-8-17)16-31-22-13-12-21(27(29)30)19-10-6-14-25-24(19)22/h1-14H,15-16H2,(H,26,28)
InChIKeyBXMSOUGGDLMRMD-UHFFFAOYSA-N
XLogP4.75
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.75
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-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23854456
N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23931205
N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23738451
N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23799987
N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 2373932
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
CID 26880181
N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23987661
2-(2-benzyl-4-nitrophenoxy)-N-(2-ethylphenyl)acetamide
CID 27143091
(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
CID 97243367
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23912279
N-(2-benzylphenyl)-2-(2,3-dichlorophenoxy)acetamide
CID 7787717

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The IUPAC name of N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide (CID 9450716) is N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide is O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The InChIKey is BXMSOUGGDLMRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c28-23(26-20-11-5-4-9-18(20)15-17-7-2-1-3-8-17)16-31-22-13-12-21(27(29)30)19-10-6-14-25-24(19)22/h1-14H,15-16H2,(H,26,28).
What are the key properties of N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide has a molecular weight of 413.43 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 9450716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).