4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one

C22H22N2O2 — CID 89364015

IUPAC4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one
SMILESC=Cc1c(-c2ccccc2OC)c(C)nn(C(C)c2ccccc2)c1=O
InChIInChI=1S/C22H22N2O2/c1-5-18-21(19-13-9-10-14-20(19)26-4)15(2)23-24(22(18)25)16(3)17-11-7-6-8-12-17/h5-14,16H,1H2,2-4H3
InChIKeyDXPXWOBJXQAPIZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.48
Rot. Bonds5

About 4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one

4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one (PubChem CID 89364015) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one
PubChem CID89364015
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one
SMILESC=Cc1c(-c2ccccc2OC)c(C)nn(C(C)c2ccccc2)c1=O
InChIInChI=1S/C22H22N2O2/c1-5-18-21(19-13-9-10-14-20(19)26-4)15(2)23-24(22(18)25)16(3)17-11-7-6-8-12-17/h5-14,16H,1H2,2-4H3
InChIKeyDXPXWOBJXQAPIZ-UHFFFAOYSA-N
XLogP4.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one?
The IUPAC name of 4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one (CID 89364015) is 4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one.
What is the SMILES notation for 4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one?
The canonical SMILES for 4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one is C=Cc1c(-c2ccccc2OC)c(C)nn(C(C)c2ccccc2)c1=O.
What is the InChIKey of 4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one?
The InChIKey is DXPXWOBJXQAPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-5-18-21(19-13-9-10-14-20(19)26-4)15(2)23-24(22(18)25)16(3)17-11-7-6-8-12-17/h5-14,16H,1H2,2-4H3.
What are the key properties of 4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one?
4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one has a molecular weight of 346.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-(2-methoxyphenyl)-6-methyl-2-(1-phenylethyl)pyridazin-3-one is sourced from PubChem (CID 89364015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).