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

C19H23N3O4 — CID 23987661

IUPACN-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC1CCCCCCC1
InChIInChI=1S/C19H23N3O4/c23-18(21-14-7-4-2-1-3-5-8-14)13-26-17-11-10-16(22(24)25)15-9-6-12-20-19(15)17/h6,9-12,14H,1-5,7-8,13H2,(H,21,23)
InChIKeyNIFCNUQBYZOUAH-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.75
Rot. Bonds5

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

N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide (PubChem CID 23987661) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
PubChem CID23987661
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC1CCCCCCC1
InChIInChI=1S/C19H23N3O4/c23-18(21-14-7-4-2-1-3-5-8-14)13-26-17-11-10-16(22(24)25)15-9-6-12-20-19(15)17/h6,9-12,14H,1-5,7-8,13H2,(H,21,23)
InChIKeyNIFCNUQBYZOUAH-UHFFFAOYSA-N
XLogP3.75
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.75
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'}

Analyze N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853
N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23931205
N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23854456
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3578333
N-(4-cyanophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23799987
N-(3-chlorophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 2373932
2-(5-chloroquinolin-8-yl)oxy-N-piperidin-4-ylacetamide
CID 119386547
8-(2-chloroethoxy)-5-nitroquinoline
CID 60863321
N'-hydroxy-2-(5-nitroquinolin-8-yl)oxyethanimidamide
CID 71320044
N-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 9450716
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23912279
N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide
CID 171343179

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide?
The IUPAC name of N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide (CID 23987661) is N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide is O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide?
The InChIKey is NIFCNUQBYZOUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-18(21-14-7-4-2-1-3-5-8-14)13-26-17-11-10-16(22(24)25)15-9-6-12-20-19(15)17/h6,9-12,14H,1-5,7-8,13H2,(H,21,23).
What are the key properties of N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide?
N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide has a molecular weight of 357.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 23987661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).