methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate

C13H12ClNO2 — CID 82575079

IUPACmethyl 2-(6-chloro-2-methylquinolin-8-yl)acetate
SMILESCOC(=O)Cc1cc(Cl)cc2ccc(C)nc12
InChIInChI=1S/C13H12ClNO2/c1-8-3-4-9-5-11(14)6-10(13(9)15-8)7-12(16)17-2/h3-6H,7H2,1-2H3
InChIKeyPKJIFJSVXYXMLI-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.91
Rot. Bonds2

About methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate

methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate (PubChem CID 82575079) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-2-methylquinolin-8-yl)acetate
PubChem CID82575079
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-(6-chloro-2-methylquinolin-8-yl)acetate
SMILESCOC(=O)Cc1cc(Cl)cc2ccc(C)nc12
InChIInChI=1S/C13H12ClNO2/c1-8-3-4-9-5-11(14)6-10(13(9)15-8)7-12(16)17-2/h3-6H,7H2,1-2H3
InChIKeyPKJIFJSVXYXMLI-UHFFFAOYSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate?
The IUPAC name of methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate (CID 82575079) is methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate.
What is the SMILES notation for methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate?
The canonical SMILES for methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate is COC(=O)Cc1cc(Cl)cc2ccc(C)nc12.
What is the InChIKey of methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate?
The InChIKey is PKJIFJSVXYXMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-8-3-4-9-5-11(14)6-10(13(9)15-8)7-12(16)17-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate?
methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate has a molecular weight of 249.70 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate is sourced from PubChem (CID 82575079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).