2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid

C14H14FNO5 — CID 82251461

IUPAC2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(=O)c2cc(F)ccc2n1CC(O)CO
InChIInChI=1S/C14H14FNO5/c15-8-1-2-12-11(3-8)13(19)4-9(5-14(20)21)16(12)6-10(18)7-17/h1-4,10,17-18H,5-7H2,(H,20,21)
InChIKeyLYHHYNZWXMSPCW-UHFFFAOYSA-N
MW295.27 g/mol
LogP0.12
Rot. Bonds5

About 2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid

2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid (PubChem CID 82251461) has the molecular formula C14H14FNO5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid
PubChem CID82251461
Molecular FormulaC14H14FNO5
Molecular Weight295.27 g/mol
Exact Mass295.09
IUPAC Name2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(=O)c2cc(F)ccc2n1CC(O)CO
InChIInChI=1S/C14H14FNO5/c15-8-1-2-12-11(3-8)13(19)4-9(5-14(20)21)16(12)6-10(18)7-17/h1-4,10,17-18H,5-7H2,(H,20,21)
InChIKeyLYHHYNZWXMSPCW-UHFFFAOYSA-N
XLogP0.12
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid (CID 82251461) is 2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid is O=C(O)Cc1cc(=O)c2cc(F)ccc2n1CC(O)CO.
What is the InChIKey of 2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid?
The InChIKey is LYHHYNZWXMSPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO5/c15-8-1-2-12-11(3-8)13(19)4-9(5-14(20)21)16(12)6-10(18)7-17/h1-4,10,17-18H,5-7H2,(H,20,21).
What are the key properties of 2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid?
2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid has a molecular weight of 295.27 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid is sourced from PubChem (CID 82251461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).