2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid

C11H8FNO3 — CID 14624968

IUPAC2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C11H8FNO3/c12-7-1-2-8-6(4-11(15)16)3-10(14)13-9(8)5-7/h1-3,5H,4H2,(H,13,14)(H,15,16)
InChIKeyIUOAPZODPUAZAN-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.29
Rot. Bonds2

About 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid

2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid (PubChem CID 14624968) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid
PubChem CID14624968
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C11H8FNO3/c12-7-1-2-8-6(4-11(15)16)3-10(14)13-9(8)5-7/h1-3,5H,4H2,(H,13,14)(H,15,16)
InChIKeyIUOAPZODPUAZAN-UHFFFAOYSA-N
XLogP1.29
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid?
The IUPAC name of 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid (CID 14624968) is 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid is O=C(O)Cc1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid?
The InChIKey is IUOAPZODPUAZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c12-7-1-2-8-6(4-11(15)16)3-10(14)13-9(8)5-7/h1-3,5H,4H2,(H,13,14)(H,15,16).
What are the key properties of 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid?
2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid has a molecular weight of 221.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-oxo-1H-quinolin-4-yl)acetic acid is sourced from PubChem (CID 14624968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).