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

C27H32N4O3 — CID 69161289

IUPAC4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one
SMILESC=C(C)c1ccc(N2CCOCC2)cc1-n1nc(-c2cccc(OC)c2)cc(N(C)CC)c1=O
InChIInChI=1S/C27H32N4O3/c1-6-29(4)26-18-24(20-8-7-9-22(16-20)33-5)28-31(27(26)32)25-17-21(10-11-23(25)19(2)3)30-12-14-34-15-13-30/h7-11,16-18H,2,6,12-15H2,1,3-5H3
InChIKeyCKRVAFWTVOYFST-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.23
Rot. Bonds7

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

4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one (PubChem CID 69161289) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one
PubChem CID69161289
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one
SMILESC=C(C)c1ccc(N2CCOCC2)cc1-n1nc(-c2cccc(OC)c2)cc(N(C)CC)c1=O
InChIInChI=1S/C27H32N4O3/c1-6-29(4)26-18-24(20-8-7-9-22(16-20)33-5)28-31(27(26)32)25-17-21(10-11-23(25)19(2)3)30-12-14-34-15-13-30/h7-11,16-18H,2,6,12-15H2,1,3-5H3
InChIKeyCKRVAFWTVOYFST-UHFFFAOYSA-N
XLogP4.23
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one?
The IUPAC name of 4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one (CID 69161289) is 4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one?
The canonical SMILES for 4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one is C=C(C)c1ccc(N2CCOCC2)cc1-n1nc(-c2cccc(OC)c2)cc(N(C)CC)c1=O.
What is the InChIKey of 4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one?
The InChIKey is CKRVAFWTVOYFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-6-29(4)26-18-24(20-8-7-9-22(16-20)33-5)28-31(27(26)32)25-17-21(10-11-23(25)19(2)3)30-12-14-34-15-13-30/h7-11,16-18H,2,6,12-15H2,1,3-5H3.
What are the key properties of 4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one?
4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one has a molecular weight of 460.58 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-prop-1-en-2-ylphenyl)pyridazin-3-one is sourced from PubChem (CID 69161289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).