4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one

C26H32N4O4 — CID 69161127

IUPAC4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one
SMILESCCN(C)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2C(C)O)c1=O
InChIInChI=1S/C26H32N4O4/c1-5-28(3)25-17-23(19-7-6-8-21(15-19)33-4)27-30(26(25)32)24-16-20(9-10-22(24)18(2)31)29-11-13-34-14-12-29/h6-10,15-18,31H,5,11-14H2,1-4H3
InChIKeyXXWUOGVKSRFUPC-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.25
Rot. Bonds7

About 4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one

4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one (PubChem CID 69161127) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one
PubChem CID69161127
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one
SMILESCCN(C)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2C(C)O)c1=O
InChIInChI=1S/C26H32N4O4/c1-5-28(3)25-17-23(19-7-6-8-21(15-19)33-4)27-30(26(25)32)24-16-20(9-10-22(24)18(2)31)29-11-13-34-14-12-29/h6-10,15-18,31H,5,11-14H2,1-4H3
InChIKeyXXWUOGVKSRFUPC-UHFFFAOYSA-N
XLogP3.25
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one (CID 69161127) is 4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one is CCN(C)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2C(C)O)c1=O.
What is the InChIKey of 4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one?
The InChIKey is XXWUOGVKSRFUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-5-28(3)25-17-23(19-7-6-8-21(15-19)33-4)27-30(26(25)32)24-16-20(9-10-22(24)18(2)31)29-11-13-34-14-12-29/h6-10,15-18,31H,5,11-14H2,1-4H3.
What are the key properties of 4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one?
4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one has a molecular weight of 464.57 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-2-[2-(1-hydroxyethyl)-5-morpholin-4-ylphenyl]-6-(3-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 69161127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).