3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid

C12H10FNO3 — CID 68553791

IUPAC3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid
SMILESO=C(O)CCn1c(=O)ccc2ccc(F)cc21
InChIInChI=1S/C12H10FNO3/c13-9-3-1-8-2-4-11(15)14(10(8)7-9)6-5-12(16)17/h1-4,7H,5-6H2,(H,16,17)
InChIKeyXQKFJVWRIUSBCS-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.62
Rot. Bonds3

About 3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid

3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid (PubChem CID 68553791) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid
PubChem CID68553791
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid
SMILESO=C(O)CCn1c(=O)ccc2ccc(F)cc21
InChIInChI=1S/C12H10FNO3/c13-9-3-1-8-2-4-11(15)14(10(8)7-9)6-5-12(16)17/h1-4,7H,5-6H2,(H,16,17)
InChIKeyXQKFJVWRIUSBCS-UHFFFAOYSA-N
XLogP1.62
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid?
The IUPAC name of 3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid (CID 68553791) is 3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid.
What is the SMILES notation for 3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid?
The canonical SMILES for 3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid is O=C(O)CCn1c(=O)ccc2ccc(F)cc21.
What is the InChIKey of 3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid?
The InChIKey is XQKFJVWRIUSBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-9-3-1-8-2-4-11(15)14(10(8)7-9)6-5-12(16)17/h1-4,7H,5-6H2,(H,16,17).
What are the key properties of 3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid?
3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid has a molecular weight of 235.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-2-oxoquinolin-1-yl)propanoic acid is sourced from PubChem (CID 68553791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).