6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one

C16H21N3O3 — CID 46702858

IUPAC6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(CN3CCOCC3)C(=O)CC2)cc1
InChIInChI=1S/C16H21N3O3/c1-21-14-4-2-13(3-5-14)15-6-7-16(20)19(17-15)12-18-8-10-22-11-9-18/h2-5H,6-12H2,1H3
InChIKeyLLYHQARZIHBYPZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.31
Rot. Bonds4

About 6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one

6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 46702858) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID46702858
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(CN3CCOCC3)C(=O)CC2)cc1
InChIInChI=1S/C16H21N3O3/c1-21-14-4-2-13(3-5-14)15-6-7-16(20)19(17-15)12-18-8-10-22-11-9-18/h2-5H,6-12H2,1H3
InChIKeyLLYHQARZIHBYPZ-UHFFFAOYSA-N
XLogP1.31
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one (CID 46702858) is 6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one is COc1ccc(C2=NN(CN3CCOCC3)C(=O)CC2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is LLYHQARZIHBYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-14-4-2-13(3-5-14)15-6-7-16(20)19(17-15)12-18-8-10-22-11-9-18/h2-5H,6-12H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one?
6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 303.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46702858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).