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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide
CID 137475702
2-[3-(3-Methoxy-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)-phenyl]-acetamide
CID 3224479
2-{[3-(4-Methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-[3-(morpholin-4-YL)propyl]acetamide
CID 22421602
1-ethyl-6-fluoro-N-[(E)-(2-methoxyphenyl)methylideneamino]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 56601263
1-ethyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 156022145
4-benzamido-N-[(E)-[3-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]benzamide
CID 118726355
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-N-phenyl-1,4-dihydroquinoline-3-carbohydrazide
CID 129858557
N'-(2,5-dimethoxybenzylidene)-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
CID 129885542
3-(4-Methoxyphenyl)-N-[2-(morpholin-4-YL)-2-oxoethyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 5155220
N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662710
N-hydroxy-4-[(3-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzamide
CID 178322494
4-[[5-(4-fluorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 46148120

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).