methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate

C13H13NO4 — CID 54676581

IUPACmethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
SMILESCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C13H13NO4/c1-14-10-6-4-3-5-8(10)12(16)9(13(14)17)7-11(15)18-2/h3-6,16H,7H2,1-2H3
InChIKeyZBFXMWWVAYRPNC-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.96
Rot. Bonds2

About methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate

methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate (PubChem CID 54676581) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
PubChem CID54676581
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
SMILESCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C13H13NO4/c1-14-10-6-4-3-5-8(10)12(16)9(13(14)17)7-11(15)18-2/h3-6,16H,7H2,1-2H3
InChIKeyZBFXMWWVAYRPNC-UHFFFAOYSA-N
XLogP0.96
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
The IUPAC name of methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate (CID 54676581) is methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
The canonical SMILES for methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate is COC(=O)Cc1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
The InChIKey is ZBFXMWWVAYRPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-14-10-6-4-3-5-8(10)12(16)9(13(14)17)7-11(15)18-2/h3-6,16H,7H2,1-2H3.
What are the key properties of methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate has a molecular weight of 247.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate is sourced from PubChem (CID 54676581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).