2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one

C26H30N4O4 — CID 69161599

IUPAC2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one
SMILESCCCNc1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2C(C)=O)c1=O
InChIInChI=1S/C26H30N4O4/c1-4-10-27-24-17-23(19-6-5-7-21(15-19)33-3)28-30(26(24)32)25-16-20(8-9-22(25)18(2)31)29-11-13-34-14-12-29/h5-9,15-17,27H,4,10-14H2,1-3H3
InChIKeyPESJCTTYHBQGSF-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.77
Rot. Bonds8

About 2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one

2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one (PubChem CID 69161599) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one
PubChem CID69161599
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one
SMILESCCCNc1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2C(C)=O)c1=O
InChIInChI=1S/C26H30N4O4/c1-4-10-27-24-17-23(19-6-5-7-21(15-19)33-3)28-30(26(24)32)25-16-20(8-9-22(25)18(2)31)29-11-13-34-14-12-29/h5-9,15-17,27H,4,10-14H2,1-3H3
InChIKeyPESJCTTYHBQGSF-UHFFFAOYSA-N
XLogP3.77
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one?
The IUPAC name of 2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one (CID 69161599) is 2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one is CCCNc1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2C(C)=O)c1=O.
What is the InChIKey of 2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one?
The InChIKey is PESJCTTYHBQGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-4-10-27-24-17-23(19-6-5-7-21(15-19)33-3)28-30(26(24)32)25-16-20(8-9-22(25)18(2)31)29-11-13-34-14-12-29/h5-9,15-17,27H,4,10-14H2,1-3H3.
What are the key properties of 2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one?
2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one has a molecular weight of 462.55 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-(propylamino)pyridazin-3-one is sourced from PubChem (CID 69161599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).