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

C19H20N2O3 — CID 10903429

IUPAC6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(c3ccccc3)C(=O)CC2C)cc1OC
InChIInChI=1S/C19H20N2O3/c1-13-11-18(22)21(15-7-5-4-6-8-15)20-19(13)14-9-10-16(23-2)17(12-14)24-3/h4-10,12-13H,11H2,1-3H3
InChIKeyIGKKHAVNSJKCCF-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.48
Rot. Bonds4

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

6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 10903429) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one
PubChem CID10903429
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(c3ccccc3)C(=O)CC2C)cc1OC
InChIInChI=1S/C19H20N2O3/c1-13-11-18(22)21(15-7-5-4-6-8-15)20-19(13)14-9-10-16(23-2)17(12-14)24-3/h4-10,12-13H,11H2,1-3H3
InChIKeyIGKKHAVNSJKCCF-UHFFFAOYSA-N
XLogP3.48
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one (CID 10903429) is 6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one is COc1ccc(C2=NN(c3ccccc3)C(=O)CC2C)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is IGKKHAVNSJKCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-11-18(22)21(15-7-5-4-6-8-15)20-19(13)14-9-10-16(23-2)17(12-14)24-3/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one?
6-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 324.38 g/mol, XLogP of 3.48, 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)-5-methyl-2-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 10903429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).