4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one

C17H19FN2O3 — CID 118467531

IUPAC4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one
SMILESCOc1ccc(-c2c(C)cnn(C3CCCCO3)c2=O)c(F)c1
InChIInChI=1S/C17H19FN2O3/c1-11-10-19-20(15-5-3-4-8-23-15)17(21)16(11)13-7-6-12(22-2)9-14(13)18/h6-7,9-10,15H,3-5,8H2,1-2H3
InChIKeyFBZASMUVIBZUHX-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.07
Rot. Bonds3

About 4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one

4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 118467531) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one
PubChem CID118467531
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one
SMILESCOc1ccc(-c2c(C)cnn(C3CCCCO3)c2=O)c(F)c1
InChIInChI=1S/C17H19FN2O3/c1-11-10-19-20(15-5-3-4-8-23-15)17(21)16(11)13-7-6-12(22-2)9-14(13)18/h6-7,9-10,15H,3-5,8H2,1-2H3
InChIKeyFBZASMUVIBZUHX-UHFFFAOYSA-N
XLogP3.07
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-5-[4-(3-piperidin-1-yl-propoxy)-phenyl]-2H-pyridazin-3-one
CID 24995995
5-Methoxy-2-methoxymethyl-4-{4-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-2H-pyridazin-3-one
CID 59652019
2-(4-fluorophenyl)-N-{3-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propyl}acetamide
CID 25881789
N-[(E)-benzylideneamino]-4-methoxy-N-methylbenzamide
CID 44622846
2-(4-Methoxybenzyl)-6-methyl-4-(3-trifluoromethylphen yl)-2h-pyridazin-3-one
CID 129822339
2-(4-ethoxyphenyl)-N-(2-(6-oxopyridazin-1(6H)-yl)ethyl)acetamide
CID 42226708
2-[[1-(2-Fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16669445
2-[[1-(3-Fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16670141
6-(4-fluorophenyl)-2-[[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 16671173
2-(4-Fluorophenyl)-1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 16071885
2-(4-Fluorophenyl)-1-[5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 16071889
1-[5-(4-Fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methoxyphenyl)ethanone
CID 16072013

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one (CID 118467531) is 4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one is COc1ccc(-c2c(C)cnn(C3CCCCO3)c2=O)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is FBZASMUVIBZUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11-10-19-20(15-5-3-4-8-23-15)17(21)16(11)13-7-6-12(22-2)9-14(13)18/h6-7,9-10,15H,3-5,8H2,1-2H3.
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one?
4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 318.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-5-methyl-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 118467531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).