5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid

C20H13FN2O3 — CID 46187842

IUPAC5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc3ccccc3n2)c2cccc(F)c2c1=O
InChIInChI=1S/C20H13FN2O3/c21-15-5-3-7-17-18(15)19(24)14(20(25)26)11-23(17)10-13-9-8-12-4-1-2-6-16(12)22-13/h1-9,11H,10H2,(H,25,26)
InChIKeyFJSXDGSQFBDKIQ-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.44
Rot. Bonds3

About 5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid

5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid (PubChem CID 46187842) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid
PubChem CID46187842
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc3ccccc3n2)c2cccc(F)c2c1=O
InChIInChI=1S/C20H13FN2O3/c21-15-5-3-7-17-18(15)19(24)14(20(25)26)11-23(17)10-13-9-8-12-4-1-2-6-16(12)22-13/h1-9,11H,10H2,(H,25,26)
InChIKeyFJSXDGSQFBDKIQ-UHFFFAOYSA-N
XLogP3.44
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid (CID 46187842) is 5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc3ccccc3n2)c2cccc(F)c2c1=O.
What is the InChIKey of 5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid?
The InChIKey is FJSXDGSQFBDKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3/c21-15-5-3-7-17-18(15)19(24)14(20(25)26)11-23(17)10-13-9-8-12-4-1-2-6-16(12)22-13/h1-9,11H,10H2,(H,25,26).
What are the key properties of 5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid?
5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid has a molecular weight of 348.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-oxo-1-(quinolin-2-ylmethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 46187842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).