2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one

C19H17FN2O2 — CID 155517441

IUPAC2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one
SMILESCOc1ccccc1/C=C/C1=NN(c2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C19H17FN2O2/c1-24-18-5-3-2-4-14(18)6-9-16-10-13-19(23)22(21-16)17-11-7-15(20)8-12-17/h2-9,11-12H,10,13H2,1H3/b9-6+
InChIKeyCORNRPUMDIAZQC-RMKNXTFCSA-N
MW324.36 g/mol
LogP4.03
Rot. Bonds4

About 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one

2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one (PubChem CID 155517441) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one
PubChem CID155517441
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one
SMILESCOc1ccccc1/C=C/C1=NN(c2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C19H17FN2O2/c1-24-18-5-3-2-4-14(18)6-9-16-10-13-19(23)22(21-16)17-11-7-15(20)8-12-17/h2-9,11-12H,10,13H2,1H3/b9-6+
InChIKeyCORNRPUMDIAZQC-RMKNXTFCSA-N
XLogP4.03
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one (CID 155517441) is 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one is COc1ccccc1/C=C/C1=NN(c2ccc(F)cc2)C(=O)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one?
The InChIKey is CORNRPUMDIAZQC-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-24-18-5-3-2-4-14(18)6-9-16-10-13-19(23)22(21-16)17-11-7-15(20)8-12-17/h2-9,11-12H,10,13H2,1H3/b9-6+.
What are the key properties of 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one?
2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one has a molecular weight of 324.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 155517441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).