2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde

C25H27N3O5 — CID 89246678

IUPAC2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde
SMILESCCCOc1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2C=O)c1=O
InChIInChI=1S/C25H27N3O5/c1-3-11-33-24-16-22(18-5-4-6-21(14-18)31-2)26-28(25(24)30)23-15-20(8-7-19(23)17-29)27-9-12-32-13-10-27/h4-8,14-17H,3,9-13H2,1-2H3
InChIKeyJJRPQJGMLSQYSD-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.35
Rot. Bonds8

About 2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde

2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde (PubChem CID 89246678) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde
PubChem CID89246678
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde
SMILESCCCOc1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2C=O)c1=O
InChIInChI=1S/C25H27N3O5/c1-3-11-33-24-16-22(18-5-4-6-21(14-18)31-2)26-28(25(24)30)23-15-20(8-7-19(23)17-29)27-9-12-32-13-10-27/h4-8,14-17H,3,9-13H2,1-2H3
InChIKeyJJRPQJGMLSQYSD-UHFFFAOYSA-N
XLogP3.35
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Ethane;formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-[3-(trifluoromethoxy)phenyl]phthalazin-1-one
CID 143463052
2-(2-Methyl-5-morpholin-4-ylphenyl)-4-[3-(trifluoromethoxy)phenyl]phthalazin-1-one
CID 143463053
3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylcinnolin-4-one
CID 53596275
6-(3,4-Dimethoxy-phenyl)-4,4-dimethyl-2-[4-(1-morpholin-4-yl-methanoyl)-phenyl]-4,5-dihydro-2H-pyridazin-3-one
CID 11532519
6-(3-Methoxyphenyl)-2-(3-morpholin-4-ylphenyl)-4-propan-2-ylpyridazin-3-one
CID 69159993
4-[Ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-propan-2-ylphenyl)pyridazin-3-one
CID 69160488
4-[Ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one
CID 69161289
4-[Ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)pyridazin-3-one
CID 69161328
2-(2-Acetyl-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
CID 69161598
2-(2-Acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one
CID 69161599
4-[ethyl(methyl)amino]-2-[2-[(E)-hydroxyiminomethyl]-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 87717851
2-[5-[Ethyl(methyl)amino]-3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde
CID 87717939

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde?
The IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde (CID 89246678) is 2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde is CCCOc1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2C=O)c1=O.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde?
The InChIKey is JJRPQJGMLSQYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-3-11-33-24-16-22(18-5-4-6-21(14-18)31-2)26-28(25(24)30)23-15-20(8-7-19(23)17-29)27-9-12-32-13-10-27/h4-8,14-17H,3,9-13H2,1-2H3.
What are the key properties of 2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde?
2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde has a molecular weight of 449.51 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde is sourced from PubChem (CID 89246678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).