methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate

C12H10FNO3 — CID 14624969

IUPACmethyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C12H10FNO3/c1-17-12(16)5-7-4-11(15)14-10-6-8(13)2-3-9(7)10/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyUEOSAFLDCIVLHW-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.38
Rot. Bonds2

About methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate

methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate (PubChem CID 14624969) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate
PubChem CID14624969
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Namemethyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C12H10FNO3/c1-17-12(16)5-7-4-11(15)14-10-6-8(13)2-3-9(7)10/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyUEOSAFLDCIVLHW-UHFFFAOYSA-N
XLogP1.38
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate?
The IUPAC name of methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate (CID 14624969) is methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate.
What is the SMILES notation for methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate?
The canonical SMILES for methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate is COC(=O)Cc1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate?
The InChIKey is UEOSAFLDCIVLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-17-12(16)5-7-4-11(15)14-10-6-8(13)2-3-9(7)10/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate?
methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate has a molecular weight of 235.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetate is sourced from PubChem (CID 14624969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).