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

C13H12FNO5 — CID 15928670

IUPAC6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(COCCO)c2ccc(F)cc2c1=O
InChIInChI=1S/C13H12FNO5/c14-8-1-2-11-9(5-8)12(17)10(13(18)19)6-15(11)7-20-4-3-16/h1-2,5-6,16H,3-4,7H2,(H,18,19)
InChIKeyGMOPFWYXDQWRNB-UHFFFAOYSA-N
MW281.24 g/mol
LogP0.81
Rot. Bonds5

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

6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 15928670) has the molecular formula C13H12FNO5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID15928670
Molecular FormulaC13H12FNO5
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Name6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(COCCO)c2ccc(F)cc2c1=O
InChIInChI=1S/C13H12FNO5/c14-8-1-2-11-9(5-8)12(17)10(13(18)19)6-15(11)7-20-4-3-16/h1-2,5-6,16H,3-4,7H2,(H,18,19)
InChIKeyGMOPFWYXDQWRNB-UHFFFAOYSA-N
XLogP0.81
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-6-[3-(2-hydroxyethoxy)propyl]-4-oxoquinoline-3-carboxylic acid
CID 59864149
6-bromo-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 94674258
6-amino-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 118706084
6-fluoro-4-oxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-3-carboxylic acid
CID 56771912
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
5-fluoro-1-(3-phenylmethoxypropyl)indole-3-carboxylic acid
CID 18385090
1-[(2,5-difluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771887
1-[(Z)-3-(3-carboxy-6-fluoro-4-oxoquinolin-1-yl)-2-(imidazol-1-ylmethyl)prop-2-enyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 139221710
1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248737
1-[(4-fluorophenyl)methyl]-6-(3-methoxy-3-oxopropanoyl)-4-oxoquinoline-3-carboxylic acid;yttrium
CID 91865856
6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide
CID 97032790
1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
CID 171745595

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid (CID 15928670) is 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(COCCO)c2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is GMOPFWYXDQWRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5/c14-8-1-2-11-9(5-8)12(17)10(13(18)19)6-15(11)7-20-4-3-16/h1-2,5-6,16H,3-4,7H2,(H,18,19).
What are the key properties of 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid?
6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 281.24 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 15928670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).