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

C13H11Cl2NO3 — CID 2471404

IUPACmethyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
SMILESCOC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12
InChIInChI=1S/C13H11Cl2NO3/c1-7-3-4-8-9(14)5-10(15)13(12(8)16-7)19-6-11(17)18-2/h3-5H,6H2,1-2H3
InChIKeyLJZQMJBLQNLKKK-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.40
Rot. Bonds3

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

methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate (PubChem CID 2471404) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
PubChem CID2471404
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Namemethyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
SMILESCOC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12
InChIInChI=1S/C13H11Cl2NO3/c1-7-3-4-8-9(14)5-10(15)13(12(8)16-7)19-6-11(17)18-2/h3-5H,6H2,1-2H3
InChIKeyLJZQMJBLQNLKKK-UHFFFAOYSA-N
XLogP3.40
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The IUPAC name of methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate (CID 2471404) is methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate.
What is the SMILES notation for methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The canonical SMILES for methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate is COC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12.
What is the InChIKey of methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The InChIKey is LJZQMJBLQNLKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c1-7-3-4-8-9(14)5-10(15)13(12(8)16-7)19-6-11(17)18-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate has a molecular weight of 300.14 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate is sourced from PubChem (CID 2471404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).