methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate

C14H15NO3 — CID 57418680

IUPACmethyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate
SMILESCOC(=O)Cn1c(=O)ccc2c(C)c(C)ccc21
InChIInChI=1S/C14H15NO3/c1-9-4-6-12-11(10(9)2)5-7-13(16)15(12)8-14(17)18-3/h4-7H,8H2,1-3H3
InChIKeyYUJXUMPUSUJGLS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.79
Rot. Bonds2

About methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate

methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate (PubChem CID 57418680) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate
PubChem CID57418680
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate
SMILESCOC(=O)Cn1c(=O)ccc2c(C)c(C)ccc21
InChIInChI=1S/C14H15NO3/c1-9-4-6-12-11(10(9)2)5-7-13(16)15(12)8-14(17)18-3/h4-7H,8H2,1-3H3
InChIKeyYUJXUMPUSUJGLS-UHFFFAOYSA-N
XLogP1.79
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate?
The IUPAC name of methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate (CID 57418680) is methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate is COC(=O)Cn1c(=O)ccc2c(C)c(C)ccc21.
What is the InChIKey of methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate?
The InChIKey is YUJXUMPUSUJGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-4-6-12-11(10(9)2)5-7-13(16)15(12)8-14(17)18-3/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate?
methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate has a molecular weight of 245.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,6-dimethyl-2-oxoquinolin-1-yl)acetate is sourced from PubChem (CID 57418680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).