2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one

C24H28N4O3 — CID 69161665

IUPAC2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one
SMILESCOc1cccc(-c2cc(C(C)C)c(=O)n(-c3cc(N4CCOCC4)ccc3N)n2)c1
InChIInChI=1S/C24H28N4O3/c1-16(2)20-15-22(17-5-4-6-19(13-17)30-3)26-28(24(20)29)23-14-18(7-8-21(23)25)27-9-11-31-12-10-27/h4-8,13-16H,9-12,25H2,1-3H3
InChIKeyJZHVJSHMDBQPFP-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.45
Rot. Bonds5

About 2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one

2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one (PubChem CID 69161665) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one
PubChem CID69161665
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one
SMILESCOc1cccc(-c2cc(C(C)C)c(=O)n(-c3cc(N4CCOCC4)ccc3N)n2)c1
InChIInChI=1S/C24H28N4O3/c1-16(2)20-15-22(17-5-4-6-19(13-17)30-3)26-28(24(20)29)23-14-18(7-8-21(23)25)27-9-11-31-12-10-27/h4-8,13-16H,9-12,25H2,1-3H3
InChIKeyJZHVJSHMDBQPFP-UHFFFAOYSA-N
XLogP3.45
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
CID 69162233
2-methylpropyl 6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)-3-oxopyridazine-4-carboxylate
CID 69161261
2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde
CID 89246678
4-(tert-butylamino)-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)pyridazin-3-one
CID 69160744
carbamoyl 6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)-3-oxopyridazine-4-carboxylate
CID 91062694
6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)-4-(2-phenylethyl)pyridazin-3-one
CID 69180398
6-(3-methoxyphenyl)-N-methyl-2-(5-morpholin-4-yl-2-nitrophenyl)-3-oxopyridazine-4-carboxamide
CID 69162734
2-[[6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)-3-oxopyridazin-4-yl]-methylamino]acetic acid
CID 69161797
4-[3-hydroxypropyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)pyridazin-3-one
CID 69161417
4-ethyl-6-(3-methoxyphenyl)-5-methyl-2-(5-morpholin-4-yl-2-nitrophenyl)pyridazin-3-one
CID 69160217
4-morpholin-4-yl-2-propan-2-ylaniline
CID 91671939
formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one
CID 143462870

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one (CID 69161665) is 2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one is COc1cccc(-c2cc(C(C)C)c(=O)n(-c3cc(N4CCOCC4)ccc3N)n2)c1.
What is the InChIKey of 2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one?
The InChIKey is JZHVJSHMDBQPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16(2)20-15-22(17-5-4-6-19(13-17)30-3)26-28(24(20)29)23-14-18(7-8-21(23)25)27-9-11-31-12-10-27/h4-8,13-16H,9-12,25H2,1-3H3.
What are the key properties of 2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one?
2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one has a molecular weight of 420.51 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 69161665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).