6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one

C24H27N3O3 — CID 69159993

IUPAC6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one
SMILESCOc1cccc(-c2cc(C(C)C)c(=O)n(-c3cccc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C24H27N3O3/c1-17(2)22-16-23(18-6-4-9-21(14-18)29-3)25-27(24(22)28)20-8-5-7-19(15-20)26-10-12-30-13-11-26/h4-9,14-17H,10-13H2,1-3H3
InChIKeyKWERTQOLRCJCQF-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.87
Rot. Bonds5

About 6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one

6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one (PubChem CID 69159993) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one
PubChem CID69159993
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one
SMILESCOc1cccc(-c2cc(C(C)C)c(=O)n(-c3cccc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C24H27N3O3/c1-17(2)22-16-23(18-6-4-9-21(14-18)29-3)25-27(24(22)28)20-8-5-7-19(15-20)26-10-12-30-13-11-26/h4-9,14-17H,10-13H2,1-3H3
InChIKeyKWERTQOLRCJCQF-UHFFFAOYSA-N
XLogP3.87
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one (CID 69159993) is 6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one is COc1cccc(-c2cc(C(C)C)c(=O)n(-c3cccc(N4CCOCC4)c3)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one?
The InChIKey is KWERTQOLRCJCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17(2)22-16-23(18-6-4-9-21(14-18)29-3)25-27(24(22)28)20-8-5-7-19(15-20)26-10-12-30-13-11-26/h4-9,14-17H,10-13H2,1-3H3.
What are the key properties of 6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one?
6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one has a molecular weight of 405.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 69159993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).