8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid

C20H13FN4O3 — CID 46225149

IUPAC8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cccnc3)nn2)c2c(F)cccc2c1=O
InChIInChI=1S/C20H13FN4O3/c21-16-5-1-4-14-18(16)25(11-15(19(14)26)20(27)28)10-13-6-7-17(24-23-13)12-3-2-8-22-9-12/h1-9,11H,10H2,(H,27,28)
InChIKeyRPLHCHCFCPUUHQ-UHFFFAOYSA-N
MW376.35 g/mol
LogP2.74
Rot. Bonds4

About 8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid

8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid (PubChem CID 46225149) has the molecular formula C20H13FN4O3 and a molecular weight of 376.35 g/mol. Its IUPAC name is 8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid
PubChem CID46225149
Molecular FormulaC20H13FN4O3
Molecular Weight376.35 g/mol
Exact Mass376.10
IUPAC Name8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cccnc3)nn2)c2c(F)cccc2c1=O
InChIInChI=1S/C20H13FN4O3/c21-16-5-1-4-14-18(16)25(11-15(19(14)26)20(27)28)10-13-6-7-17(24-23-13)12-3-2-8-22-9-12/h1-9,11H,10H2,(H,27,28)
InChIKeyRPLHCHCFCPUUHQ-UHFFFAOYSA-N
XLogP2.74
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid (CID 46225149) is 8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3cccnc3)nn2)c2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid?
The InChIKey is RPLHCHCFCPUUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O3/c21-16-5-1-4-14-18(16)25(11-15(19(14)26)20(27)28)10-13-6-7-17(24-23-13)12-3-2-8-22-9-12/h1-9,11H,10H2,(H,27,28).
What are the key properties of 8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid?
8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid has a molecular weight of 376.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 46225149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).