[2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate

C21H15Cl2N3O4 — CID 16544235

IUPAC[2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3ccccc3C#N)c2n1
InChIInChI=1S/C21H15Cl2N3O4/c1-12-6-7-14-15(22)8-16(23)21(20(14)25-12)30-11-19(28)29-10-18(27)26-17-5-3-2-4-13(17)9-24/h2-8H,10-11H2,1H3,(H,26,27)
InChIKeyGPVWYXWSTVHMHE-UHFFFAOYSA-N
MW444.27 g/mol
LogP4.28
Rot. Bonds6

About [2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate

[2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate (PubChem CID 16544235) has the molecular formula C21H15Cl2N3O4 and a molecular weight of 444.27 g/mol. Its IUPAC name is [2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate.

Molecular Properties

Compound Name[2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
PubChem CID16544235
Molecular FormulaC21H15Cl2N3O4
Molecular Weight444.27 g/mol
Exact Mass443.04
IUPAC Name[2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3ccccc3C#N)c2n1
InChIInChI=1S/C21H15Cl2N3O4/c1-12-6-7-14-15(22)8-16(23)21(20(14)25-12)30-11-19(28)29-10-18(27)26-17-5-3-2-4-13(17)9-24/h2-8H,10-11H2,1H3,(H,26,27)
InChIKeyGPVWYXWSTVHMHE-UHFFFAOYSA-N
XLogP4.28
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate with MolForge

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Related Compounds

(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2667497
(2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 8887751
[2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 4595999
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2667528
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 2431077
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-phenoxyphenyl)acetamide
CID 23908018
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-naphthalen-2-ylacetamide
CID 7997855
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
CID 23819705
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 23878377
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-2-phenylacetamide
CID 16568919
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]benzamide
CID 16569547
[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-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate (CID 16544235) is [2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate.
What is the SMILES notation for [2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The canonical SMILES for [2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate is Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3ccccc3C#N)c2n1.
What is the InChIKey of [2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The InChIKey is GPVWYXWSTVHMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O4/c1-12-6-7-14-15(22)8-16(23)21(20(14)25-12)30-11-19(28)29-10-18(27)26-17-5-3-2-4-13(17)9-24/h2-8H,10-11H2,1H3,(H,26,27).
What are the key properties of [2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
[2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate has a molecular weight of 444.27 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate is sourced from PubChem (CID 16544235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).