8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid

C23H15FN4O3 — CID 46225148

IUPAC8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccc4[nH]ccc4c3)nn2)c2c(F)cccc2c1=O
InChIInChI=1S/C23H15FN4O3/c24-18-3-1-2-16-21(18)28(12-17(22(16)29)23(30)31)11-15-5-7-20(27-26-15)13-4-6-19-14(10-13)8-9-25-19/h1-10,12,25H,11H2,(H,30,31)
InChIKeyRRPOZUZDLUICJV-UHFFFAOYSA-N
MW414.40 g/mol
LogP3.83
Rot. Bonds4

About 8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid

8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 46225148) has the molecular formula C23H15FN4O3 and a molecular weight of 414.40 g/mol. Its IUPAC name is 8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID46225148
Molecular FormulaC23H15FN4O3
Molecular Weight414.40 g/mol
Exact Mass414.11
IUPAC Name8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccc4[nH]ccc4c3)nn2)c2c(F)cccc2c1=O
InChIInChI=1S/C23H15FN4O3/c24-18-3-1-2-16-21(18)28(12-17(22(16)29)23(30)31)11-15-5-7-20(27-26-15)13-4-6-19-14(10-13)8-9-25-19/h1-10,12,25H,11H2,(H,30,31)
InChIKeyRRPOZUZDLUICJV-UHFFFAOYSA-N
XLogP3.83
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid (CID 46225148) is 8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3ccc4[nH]ccc4c3)nn2)c2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is RRPOZUZDLUICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O3/c24-18-3-1-2-16-21(18)28(12-17(22(16)29)23(30)31)11-15-5-7-20(27-26-15)13-4-6-19-14(10-13)8-9-25-19/h1-10,12,25H,11H2,(H,30,31).
What are the key properties of 8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid?
8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 414.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-[[6-(1H-indol-5-yl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 46225148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).