N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide

C17H14ClN3O2S — CID 87039641

IUPACN'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide
SMILESCC(NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc(Cl)s1
InChIInChI=1S/C17H14ClN3O2S/c1-10(14-6-7-15(18)24-14)20-16(22)17(23)21-12-8-11-4-2-3-5-13(11)19-9-12/h2-10H,1H3,(H,20,22)(H,21,23)
InChIKeyOKLUDIQVVMLLFV-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.77
Rot. Bonds3

About N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide

N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide (PubChem CID 87039641) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide.

Molecular Properties

Compound NameN'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide
PubChem CID87039641
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide
SMILESCC(NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc(Cl)s1
InChIInChI=1S/C17H14ClN3O2S/c1-10(14-6-7-15(18)24-14)20-16(22)17(23)21-12-8-11-4-2-3-5-13(11)19-9-12/h2-10H,1H3,(H,20,22)(H,21,23)
InChIKeyOKLUDIQVVMLLFV-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide?
The IUPAC name of N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide (CID 87039641) is N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide.
What is the SMILES notation for N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide?
The canonical SMILES for N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide is CC(NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc(Cl)s1.
What is the InChIKey of N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide?
The InChIKey is OKLUDIQVVMLLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-10(14-6-7-15(18)24-14)20-16(22)17(23)21-12-8-11-4-2-3-5-13(11)19-9-12/h2-10H,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide?
N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide has a molecular weight of 359.84 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide is sourced from PubChem (CID 87039641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).