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

C15H14Cl2N2O4 — CID 4595999

IUPAC[2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
SMILESCNC(=O)COC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12
InChIInChI=1S/C15H14Cl2N2O4/c1-8-3-4-9-10(16)5-11(17)15(14(9)19-8)23-7-13(21)22-6-12(20)18-2/h3-5H,6-7H2,1-2H3,(H,18,20)
InChIKeyNMQMZYIRXUIMPG-UHFFFAOYSA-N
MW357.19 g/mol
LogP2.52
Rot. Bonds5

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

[2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate (PubChem CID 4595999) has the molecular formula C15H14Cl2N2O4 and a molecular weight of 357.19 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
PubChem CID4595999
Molecular FormulaC15H14Cl2N2O4
Molecular Weight357.19 g/mol
Exact Mass356.03
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
SMILESCNC(=O)COC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12
InChIInChI=1S/C15H14Cl2N2O4/c1-8-3-4-9-10(16)5-11(17)15(14(9)19-8)23-7-13(21)22-6-12(20)18-2/h3-5H,6-7H2,1-2H3,(H,18,20)
InChIKeyNMQMZYIRXUIMPG-UHFFFAOYSA-N
XLogP2.52
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2667497
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 5001147
[2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 16544235
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2667528
1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one
CID 62041878
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 23878377
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(ethylcarbamoyl)acetamide
CID 2628295
N-(cyclopropylmethyl)-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
CID 30432553
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-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 8887751
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-naphthalen-2-ylacetamide
CID 7997855

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate (CID 4595999) is [2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate is CNC(=O)COC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The InChIKey is NMQMZYIRXUIMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4/c1-8-3-4-9-10(16)5-11(17)15(14(9)19-8)23-7-13(21)22-6-12(20)18-2/h3-5H,6-7H2,1-2H3,(H,18,20).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
[2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate has a molecular weight of 357.19 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate is sourced from PubChem (CID 4595999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).