(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate

C20H16Cl2N2O4 — CID 2667497

IUPAC(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3ccccc3)c2n1
InChIInChI=1S/C20H16Cl2N2O4/c1-12-7-8-14-15(21)9-16(22)20(19(14)23-12)28-11-18(26)27-10-17(25)24-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,24,25)
InChIKeyUZAHALGJKJINHO-UHFFFAOYSA-N
MW419.26 g/mol
LogP4.41
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate

(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate (PubChem CID 2667497) has the molecular formula C20H16Cl2N2O4 and a molecular weight of 419.26 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
PubChem CID2667497
Molecular FormulaC20H16Cl2N2O4
Molecular Weight419.26 g/mol
Exact Mass418.05
IUPAC Name(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3ccccc3)c2n1
InChIInChI=1S/C20H16Cl2N2O4/c1-12-7-8-14-15(21)9-16(22)20(19(14)23-12)28-11-18(26)27-10-17(25)24-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,24,25)
InChIKeyUZAHALGJKJINHO-UHFFFAOYSA-N
XLogP4.41
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate 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-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 4595999
[2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 16544235
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-naphthalen-2-ylacetamide
CID 7997855
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-2-phenylacetamide
CID 16568919
4-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-N-phenylpiperazine-1-carboxamide
CID 24518366
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 23878377
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2667528
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]benzamide
CID 16569547
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 2431077
N-[3,5-bis(trifluoromethyl)phenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
CID 4590286
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenoxyphenyl)acetamide
CID 23908018
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 5001147

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate (CID 2667497) is (2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate is Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3ccccc3)c2n1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The InChIKey is UZAHALGJKJINHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4/c1-12-7-8-14-15(21)9-16(22)20(19(14)23-12)28-11-18(26)27-10-17(25)24-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,24,25).
What are the key properties of (2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate has a molecular weight of 419.26 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate is sourced from PubChem (CID 2667497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).