6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one

C22H26N2O4 — CID 18623506

IUPAC6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one
SMILESCCC1CC(=O)N(Cc2ccccc2OC)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H26N2O4/c1-5-15-13-21(25)24(14-17-8-6-7-9-18(17)26-2)23-22(15)16-10-11-19(27-3)20(12-16)28-4/h6-12,15H,5,13-14H2,1-4H3
InChIKeyZXTYELHQOWKBKO-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.88
Rot. Bonds7

About 6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one

6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one (PubChem CID 18623506) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one
PubChem CID18623506
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one
SMILESCCC1CC(=O)N(Cc2ccccc2OC)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H26N2O4/c1-5-15-13-21(25)24(14-17-8-6-7-9-18(17)26-2)23-22(15)16-10-11-19(27-3)20(12-16)28-4/h6-12,15H,5,13-14H2,1-4H3
InChIKeyZXTYELHQOWKBKO-UHFFFAOYSA-N
XLogP3.88
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one (CID 18623506) is 6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one is CCC1CC(=O)N(Cc2ccccc2OC)N=C1c1ccc(OC)c(OC)c1.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one?
The InChIKey is ZXTYELHQOWKBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-5-15-13-21(25)24(14-17-8-6-7-9-18(17)26-2)23-22(15)16-10-11-19(27-3)20(12-16)28-4/h6-12,15H,5,13-14H2,1-4H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one?
6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one has a molecular weight of 382.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 18623506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).