N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide

C21H21ClN2O3 — CID 3236055

IUPACN-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H21ClN2O3/c1-3-23(16-9-7-8-15(22)12-16)21(26)14-27-19-13-20(25)24(4-2)18-11-6-5-10-17(18)19/h5-13H,3-4,14H2,1-2H3
InChIKeyQHJMKPVTGSEYES-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.11
Rot. Bonds6

About N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide

N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide (PubChem CID 3236055) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
PubChem CID3236055
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H21ClN2O3/c1-3-23(16-9-7-8-15(22)12-16)21(26)14-27-19-13-20(25)24(4-2)18-11-6-5-10-17(18)19/h5-13H,3-4,14H2,1-2H3
InChIKeyQHJMKPVTGSEYES-UHFFFAOYSA-N
XLogP4.11
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The IUPAC name of N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide (CID 3236055) is N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide is CCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The InChIKey is QHJMKPVTGSEYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-3-23(16-9-7-8-15(22)12-16)21(26)14-27-19-13-20(25)24(4-2)18-11-6-5-10-17(18)19/h5-13H,3-4,14H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide has a molecular weight of 384.86 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 3236055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).