4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one

C21H20N2O2 — CID 68849569

IUPAC4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one
SMILESCOc1ccc(-c2ccnn(CC=Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C21H20N2O2/c1-16-5-7-17(8-6-16)4-3-15-23-21(24)20(13-14-22-23)18-9-11-19(25-2)12-10-18/h3-14H,15H2,1-2H3
InChIKeyGMCAVHBMQHUULY-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.94
Rot. Bonds5

About 4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one

4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one (PubChem CID 68849569) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one
PubChem CID68849569
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one
SMILESCOc1ccc(-c2ccnn(CC=Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C21H20N2O2/c1-16-5-7-17(8-6-16)4-3-15-23-21(24)20(13-14-22-23)18-9-11-19(25-2)12-10-18/h3-14H,15H2,1-2H3
InChIKeyGMCAVHBMQHUULY-UHFFFAOYSA-N
XLogP3.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one (CID 68849569) is 4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one is COc1ccc(-c2ccnn(CC=Cc3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is GMCAVHBMQHUULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-16-5-7-17(8-6-16)4-3-15-23-21(24)20(13-14-22-23)18-9-11-19(25-2)12-10-18/h3-14H,15H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one?
4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 332.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 68849569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).