6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one

C18H21N3O3 — CID 4245979

IUPAC6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C18H21N3O3/c1-14-2-4-15(5-3-14)16-6-7-18(23)21(19-16)9-8-17(22)20-10-12-24-13-11-20/h2-7H,8-13H2,1H3
InChIKeyRUKXWWNGIYQRJG-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.47
Rot. Bonds4

About 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one

6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one (PubChem CID 4245979) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one
PubChem CID4245979
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C18H21N3O3/c1-14-2-4-15(5-3-14)16-6-7-18(23)21(19-16)9-8-17(22)20-10-12-24-13-11-20/h2-7H,8-13H2,1H3
InChIKeyRUKXWWNGIYQRJG-UHFFFAOYSA-N
XLogP1.47
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one?
The IUPAC name of 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one (CID 4245979) is 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one?
The canonical SMILES for 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCOCC3)n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one?
The InChIKey is RUKXWWNGIYQRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14-2-4-15(5-3-14)16-6-7-18(23)21(19-16)9-8-17(22)20-10-12-24-13-11-20/h2-7H,8-13H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one?
6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one has a molecular weight of 327.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 4245979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).