6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one

C18H18N2O3 — CID 11109680

IUPAC6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-10-8-13(12-17(16)23-2)15-9-11-18(21)20(19-15)14-6-4-3-5-7-14/h3-8,10,12H,9,11H2,1-2H3
InChIKeyKOZNRVVBQXILKV-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.23
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one

6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 11109680) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one
PubChem CID11109680
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1OC
InChIInChI=1S/C18H18N2O3/c1-22-16-10-8-13(12-17(16)23-2)15-9-11-18(21)20(19-15)14-6-4-3-5-7-14/h3-8,10,12H,9,11H2,1-2H3
InChIKeyKOZNRVVBQXILKV-UHFFFAOYSA-N
XLogP3.23
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-Dimethoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5386459
4-(3,4-Dimethoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 10428730
2-Benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
CID 10980260
4-(4-Methoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5395481
6-(3,4-Dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one
CID 11440401
N-(3-Fluoro-phenyl)-3-{[2-(4-methoxy-phenyl)-acetyl]-hydrazono}-butyramide
CID 9594173
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 5286690
1-Phenyl-3-methyl-4-(2-methoxyphenylmethylene)-5-pyrazolone
CID 5377598
4-[3-(2,3-Dimethoxy-phenyl)-1-phenyl-allylidene]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5725368
(3Z)-3-{2-[(4-methoxyphenyl)acetyl]hydrazinylidene}-N-methyl-N-phenylbutanamide
CID 6385478
(4E)-4-(4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 5386456
4-(3,4-diethoxyphenyl)-2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 9806003

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one (CID 11109680) is 6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one is COc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is KOZNRVVBQXILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-10-8-13(12-17(16)23-2)15-9-11-18(21)20(19-15)14-6-4-3-5-7-14/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one?
6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 310.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 11109680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).