1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid

C17H12FNO3 — CID 46225414

IUPAC1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccc2)c2cccc(F)c2c1=O
InChIInChI=1S/C17H12FNO3/c18-13-7-4-8-14-15(13)16(20)12(17(21)22)10-19(14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,21,22)
InChIKeyHAKVYHOVTZUCLI-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.89
Rot. Bonds3

About 1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid

1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 46225414) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID46225414
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccc2)c2cccc(F)c2c1=O
InChIInChI=1S/C17H12FNO3/c18-13-7-4-8-14-15(13)16(20)12(17(21)22)10-19(14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,21,22)
InChIKeyHAKVYHOVTZUCLI-UHFFFAOYSA-N
XLogP2.89
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-3-carboxylic acid
CID 54587507
5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 46232994
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46187846
1-[[4-(4-ethenylpyrazol-1-yl)phenyl]methyl]-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 58297059
ethyl 1-[(4-bromophenyl)methyl]-5-fluoro-4-oxoquinoline-3-carboxylate
CID 135072615
1-[(2-chloro-6-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771888
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203
1-[(4-fluorophenyl)methyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 21079394
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid
CID 170984861
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198
7-(2-aminoethylamino)-1-benzyl-4-oxoquinoline-3-carboxylic acid
CID 18448975

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid (CID 46225414) is 1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccccc2)c2cccc(F)c2c1=O.
What is the InChIKey of 1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is HAKVYHOVTZUCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-13-7-4-8-14-15(13)16(20)12(17(21)22)10-19(14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,21,22).
What are the key properties of 1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid?
1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 297.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 46225414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).