1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid

C13H12FNO5 — CID 82249184

IUPAC1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cccc(F)c2n1CC(O)CO
InChIInChI=1S/C13H12FNO5/c14-9-3-1-2-8-11(18)4-10(13(19)20)15(12(8)9)5-7(17)6-16/h1-4,7,16-17H,5-6H2,(H,19,20)
InChIKeyYMLOEYIBYHQYOZ-UHFFFAOYSA-N
MW281.24 g/mol
LogP0.19
Rot. Bonds4

About 1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid

1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid (PubChem CID 82249184) has the molecular formula C13H12FNO5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid
PubChem CID82249184
Molecular FormulaC13H12FNO5
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Name1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cccc(F)c2n1CC(O)CO
InChIInChI=1S/C13H12FNO5/c14-9-3-1-2-8-11(18)4-10(13(19)20)15(12(8)9)5-7(17)6-16/h1-4,7,16-17H,5-6H2,(H,19,20)
InChIKeyYMLOEYIBYHQYOZ-UHFFFAOYSA-N
XLogP0.19
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246534
1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249185
7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid
CID 82251960
1-butan-2-yl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246537
1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82244422
1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251138
1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid
CID 82248172
1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82243055
1-[1-(2,3-dihydroxypropyl)-7-fluoroindol-3-yl]ethanone
CID 117098768
7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82249284
2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid
CID 82251461
1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82248606

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid (CID 82249184) is 1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2cccc(F)c2n1CC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid?
The InChIKey is YMLOEYIBYHQYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5/c14-9-3-1-2-8-11(18)4-10(13(19)20)15(12(8)9)5-7(17)6-16/h1-4,7,16-17H,5-6H2,(H,19,20).
What are the key properties of 1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid?
1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid has a molecular weight of 281.24 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82249184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).