2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one

C24H18N2O3 — CID 11574493

IUPAC2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)c2c1oc1ccccc12
InChIInChI=1S/C24H18N2O3/c1-28-21-13-11-17(23-18-9-5-6-10-20(18)29-24(21)23)19-12-14-22(27)26(25-19)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyBETNOTXNEJHSGJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.87
Rot. Bonds4

About 2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one

2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one (PubChem CID 11574493) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one
PubChem CID11574493
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)c2c1oc1ccccc12
InChIInChI=1S/C24H18N2O3/c1-28-21-13-11-17(23-18-9-5-6-10-20(18)29-24(21)23)19-12-14-22(27)26(25-19)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyBETNOTXNEJHSGJ-UHFFFAOYSA-N
XLogP4.87
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one (CID 11574493) is 2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)c2c1oc1ccccc12.
What is the InChIKey of 2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one?
The InChIKey is BETNOTXNEJHSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-28-21-13-11-17(23-18-9-5-6-10-20(18)29-24(21)23)19-12-14-22(27)26(25-19)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of 2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one?
2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one has a molecular weight of 382.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(4-methoxydibenzofuran-1-yl)pyridazin-3-one is sourced from PubChem (CID 11574493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).