3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one

C16H14N2O4 — CID 122448914

IUPAC3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one
SMILESCC(=O)c1nn(C2CCc3ccccc3C2=O)cc(O)c1=O
InChIInChI=1S/C16H14N2O4/c1-9(19)14-16(22)13(20)8-18(17-14)12-7-6-10-4-2-3-5-11(10)15(12)21/h2-5,8,12,20H,6-7H2,1H3
InChIKeyNIGOTZBHCHSIBG-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.52
Rot. Bonds2

About 3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one

3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one (PubChem CID 122448914) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one.

Molecular Properties

Compound Name3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one
PubChem CID122448914
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one
SMILESCC(=O)c1nn(C2CCc3ccccc3C2=O)cc(O)c1=O
InChIInChI=1S/C16H14N2O4/c1-9(19)14-16(22)13(20)8-18(17-14)12-7-6-10-4-2-3-5-11(10)15(12)21/h2-5,8,12,20H,6-7H2,1H3
InChIKeyNIGOTZBHCHSIBG-UHFFFAOYSA-N
XLogP1.52
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one?
The IUPAC name of 3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one (CID 122448914) is 3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one.
What is the SMILES notation for 3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one?
The canonical SMILES for 3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one is CC(=O)c1nn(C2CCc3ccccc3C2=O)cc(O)c1=O.
What is the InChIKey of 3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one?
The InChIKey is NIGOTZBHCHSIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9(19)14-16(22)13(20)8-18(17-14)12-7-6-10-4-2-3-5-11(10)15(12)21/h2-5,8,12,20H,6-7H2,1H3.
What are the key properties of 3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one?
3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one has a molecular weight of 298.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one is sourced from PubChem (CID 122448914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).