4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one

C22H22N2O2 — CID 69398082

IUPAC4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one
SMILESCCCc1n[nH]c(=O)c(/C=C/c2ccccc2)c1-c1ccccc1OC
InChIInChI=1S/C22H22N2O2/c1-3-9-19-21(17-12-7-8-13-20(17)26-2)18(22(25)24-23-19)15-14-16-10-5-4-6-11-16/h4-8,10-15H,3,9H2,1-2H3,(H,24,25)/b15-14+
InChIKeyQFJQBDCNVYQCTK-CCEZHUSRSA-N
MW346.43 g/mol
LogP4.57
Rot. Bonds6

About 4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one

4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one (PubChem CID 69398082) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one
PubChem CID69398082
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one
SMILESCCCc1n[nH]c(=O)c(/C=C/c2ccccc2)c1-c1ccccc1OC
InChIInChI=1S/C22H22N2O2/c1-3-9-19-21(17-12-7-8-13-20(17)26-2)18(22(25)24-23-19)15-14-16-10-5-4-6-11-16/h4-8,10-15H,3,9H2,1-2H3,(H,24,25)/b15-14+
InChIKeyQFJQBDCNVYQCTK-CCEZHUSRSA-N
XLogP4.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one?
The IUPAC name of 4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one (CID 69398082) is 4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one is CCCc1n[nH]c(=O)c(/C=C/c2ccccc2)c1-c1ccccc1OC.
What is the InChIKey of 4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one?
The InChIKey is QFJQBDCNVYQCTK-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-3-9-19-21(17-12-7-8-13-20(17)26-2)18(22(25)24-23-19)15-14-16-10-5-4-6-11-16/h4-8,10-15H,3,9H2,1-2H3,(H,24,25)/b15-14+.
What are the key properties of 4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one?
4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one has a molecular weight of 346.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one is sourced from PubChem (CID 69398082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).