methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate

C13H12FNO3 — CID 39890567

IUPACmethyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate
SMILESCOC(=O)Cn1c(C)cc(=O)c2cccc(F)c21
InChIInChI=1S/C13H12FNO3/c1-8-6-11(16)9-4-3-5-10(14)13(9)15(8)7-12(17)18-2/h3-6H,7H2,1-2H3
InChIKeyOZOKGGPVNDIVTR-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.62
Rot. Bonds2

About methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate

methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate (PubChem CID 39890567) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate
PubChem CID39890567
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Namemethyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate
SMILESCOC(=O)Cn1c(C)cc(=O)c2cccc(F)c21
InChIInChI=1S/C13H12FNO3/c1-8-6-11(16)9-4-3-5-10(14)13(9)15(8)7-12(17)18-2/h3-6H,7H2,1-2H3
InChIKeyOZOKGGPVNDIVTR-UHFFFAOYSA-N
XLogP1.62
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate?
The IUPAC name of methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate (CID 39890567) is methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate is COC(=O)Cn1c(C)cc(=O)c2cccc(F)c21.
What is the InChIKey of methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate?
The InChIKey is OZOKGGPVNDIVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-8-6-11(16)9-4-3-5-10(14)13(9)15(8)7-12(17)18-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate?
methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate has a molecular weight of 249.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetate is sourced from PubChem (CID 39890567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).