N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide

C25H21N3O4 — CID 23738451

IUPACN,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c2cccnc12)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H21N3O4/c29-24(18-32-23-14-13-22(28(30)31)21-12-7-15-26-25(21)23)27(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-15H,16-18H2
InChIKeyRXUMUHQCXJQRJN-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.75
Rot. Bonds8

About N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide

N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide (PubChem CID 23738451) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide
PubChem CID23738451
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])c2cccnc12)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H21N3O4/c29-24(18-32-23-14-13-22(28(30)31)21-12-7-15-26-25(21)23)27(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-15H,16-18H2
InChIKeyRXUMUHQCXJQRJN-UHFFFAOYSA-N
XLogP4.75
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
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,N-dibenzyl-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-(2-benzylphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 9450716
N'-hydroxy-2-(5-nitroquinolin-8-yl)oxyethanimidamide
CID 71320044
(5-nitroquinolin-8-yl) N,N-diethylcarbamate
CID 175460748
(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
CID 97243367
N-(4-nitrophenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23931205
N-(2-methoxyphenyl)-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23854456
8-(2-chloroethoxy)-5-nitroquinoline
CID 60863321
ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate
CID 60865673
N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23987661
2-[methyl-(5-nitroquinolin-8-yl)oxycarbonylamino]acetic acid
CID 146455566
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide?
The IUPAC name of N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide (CID 23738451) is N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide?
The canonical SMILES for N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide is O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide?
The InChIKey is RXUMUHQCXJQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c29-24(18-32-23-14-13-22(28(30)31)21-12-7-15-26-25(21)23)27(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-15H,16-18H2.
What are the key properties of N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide?
N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide has a molecular weight of 427.46 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(5-nitroquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 23738451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).