2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one

C27H25N3O3 — CID 140623630

IUPAC2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one
SMILESCn1nc(-c2ccccc2Oc2ccccc2)c(-c2cccc(N3CCOCC3)c2)cc1=O
InChIInChI=1S/C27H25N3O3/c1-29-26(31)19-24(20-8-7-9-21(18-20)30-14-16-32-17-15-30)27(28-29)23-12-5-6-13-25(23)33-22-10-3-2-4-11-22/h2-13,18-19H,14-17H2,1H3
InChIKeyJFCSMMNZRQOUSF-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.74
Rot. Bonds5

About 2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one

2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one (PubChem CID 140623630) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one
PubChem CID140623630
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one
SMILESCn1nc(-c2ccccc2Oc2ccccc2)c(-c2cccc(N3CCOCC3)c2)cc1=O
InChIInChI=1S/C27H25N3O3/c1-29-26(31)19-24(20-8-7-9-21(18-20)30-14-16-32-17-15-30)27(28-29)23-12-5-6-13-25(23)33-22-10-3-2-4-11-22/h2-13,18-19H,14-17H2,1H3
InChIKeyJFCSMMNZRQOUSF-UHFFFAOYSA-N
XLogP4.74
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one (CID 140623630) is 2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one is Cn1nc(-c2ccccc2Oc2ccccc2)c(-c2cccc(N3CCOCC3)c2)cc1=O.
What is the InChIKey of 2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one?
The InChIKey is JFCSMMNZRQOUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-29-26(31)19-24(20-8-7-9-21(18-20)30-14-16-32-17-15-30)27(28-29)23-12-5-6-13-25(23)33-22-10-3-2-4-11-22/h2-13,18-19H,14-17H2,1H3.
What are the key properties of 2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one?
2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one has a molecular weight of 439.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 140623630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).