3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C19H21N3O3 — CID 171679012

IUPAC3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cc(Nc2ccc(C3=NNC(=O)CC3C)cc2)cc(OC)c1
InChIInChI=1S/C19H21N3O3/c1-12-8-18(23)21-22-19(12)13-4-6-14(7-5-13)20-15-9-16(24-2)11-17(10-15)25-3/h4-7,9-12,20H,8H2,1-3H3,(H,21,23)
InChIKeySCVAHLSKHYACCO-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.31
Rot. Bonds5

About 3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 171679012) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID171679012
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cc(Nc2ccc(C3=NNC(=O)CC3C)cc2)cc(OC)c1
InChIInChI=1S/C19H21N3O3/c1-12-8-18(23)21-22-19(12)13-4-6-14(7-5-13)20-15-9-16(24-2)11-17(10-15)25-3/h4-7,9-12,20H,8H2,1-3H3,(H,21,23)
InChIKeySCVAHLSKHYACCO-UHFFFAOYSA-N
XLogP3.31
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 171679012) is 3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is COc1cc(Nc2ccc(C3=NNC(=O)CC3C)cc2)cc(OC)c1.
What is the InChIKey of 3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is SCVAHLSKHYACCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-8-18(23)21-22-19(12)13-4-6-14(7-5-13)20-15-9-16(24-2)11-17(10-15)25-3/h4-7,9-12,20H,8H2,1-3H3,(H,21,23).
What are the key properties of 3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 339.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 171679012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).