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

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Related Compounds

8-fluoro-1-[[4-[6-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 46225382
8-fluoro-4-oxo-1-[(4-pyrimidin-5-ylphenyl)methyl]quinoline-3-carboxylic acid
CID 46225417
8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967424
1-[[4-(6-chloro-3-pyridinyl)phenyl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid
CID 24968496
8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid
CID 46232368
8-fluoro-4-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid
CID 82250393
8-fluoro-1-[[4-[6-(methylamino)-3-pyridinyl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967791
8-fluoro-1-[(4-methylsulfonylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 46225486
8-fluoro-1-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967789
8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid
CID 54586510
5-(1H-indol-5-yl)pyridazine-4-carboxylic acid
CID 82388436
ethyl 1-[(5-bromo-2-pyridinyl)methyl]-8-fluoro-4-oxoquinoline-3-carboxylate
CID 58206231

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).