1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid

C13H12FNO5 — CID 82249185

IUPAC1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)ccc2n1CC(O)CO
InChIInChI=1S/C13H12FNO5/c14-7-1-2-10-9(3-7)12(18)4-11(13(19)20)15(10)5-8(17)6-16/h1-4,8,16-17H,5-6H2,(H,19,20)
InChIKeyUTMOOHWBFHQCFH-UHFFFAOYSA-N
MW281.24 g/mol
LogP0.19
Rot. Bonds4

About 1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid

1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid (PubChem CID 82249185) has the molecular formula C13H12FNO5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid
PubChem CID82249185
Molecular FormulaC13H12FNO5
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Name1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)ccc2n1CC(O)CO
InChIInChI=1S/C13H12FNO5/c14-7-1-2-10-9(3-7)12(18)4-11(13(19)20)15(10)5-8(17)6-16/h1-4,8,16-17H,5-6H2,(H,19,20)
InChIKeyUTMOOHWBFHQCFH-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

2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid
CID 82251461
1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251138
7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid
CID 82251960
1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249184
6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82247120
1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 118415662
1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82243055
(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
CID 118415383
1-[1-(2,3-dihydroxypropyl)-5-fluoroindol-3-yl]ethanone
CID 117098722
2-chloro-5-fluoro-1-(2-methylpropyl)indole-3-carboxylic acid
CID 82268787
1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 142425581
(5R)-1-[(2S)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-5-methylpyrrolidin-2-one
CID 118415369

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid (CID 82249185) is 1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2cc(F)ccc2n1CC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid?
The InChIKey is UTMOOHWBFHQCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5/c14-7-1-2-10-9(3-7)12(18)4-11(13(19)20)15(10)5-8(17)6-16/h1-4,8,16-17H,5-6H2,(H,19,20).
What are the key properties of 1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid?
1-(2,3-dihydroxypropyl)-6-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)-6-fluoro-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82249185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).