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

C18H15N3O5 — CID 23854456

IUPACN-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESCOc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C18H15N3O5/c1-25-15-7-3-2-6-13(15)20-17(22)11-26-16-9-8-14(21(23)24)12-5-4-10-19-18(12)16/h2-10H,11H2,1H3,(H,20,22)
InChIKeyATKQEGBSLPFZRW-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.17
Rot. Bonds6

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

N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide (PubChem CID 23854456) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
PubChem CID23854456
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC NameN-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESCOc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C18H15N3O5/c1-25-15-7-3-2-6-13(15)20-17(22)11-26-16-9-8-14(21(23)24)12-5-4-10-19-18(12)16/h2-10H,11H2,1H3,(H,20,22)
InChIKeyATKQEGBSLPFZRW-UHFFFAOYSA-N
XLogP3.17
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.17
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

2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853
N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 9450716
N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23931205
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23912279
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23799987
N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 2373932
N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23987661
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 91455867
methyl (5-nitroquinolin-8-yl) hydrogen phosphate
CID 146455565
N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23738451
1-O-methyl 6-O-[(5-nitroquinolin-8-yl)oxymethyl] hexanedioate
CID 149115733

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide (CID 23854456) is N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide is COc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
The InChIKey is ATKQEGBSLPFZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-25-15-7-3-2-6-13(15)20-17(22)11-26-16-9-8-14(21(23)24)12-5-4-10-19-18(12)16/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide?
N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide has a molecular weight of 353.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 23854456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).