5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one

C19H17BrN2O3 — CID 71497272

IUPAC5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one
SMILESCCOc1ccc(Oc2c(Br)cnn(-c3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C19H17BrN2O3/c1-3-24-15-7-9-16(10-8-15)25-18-17(20)12-21-22(19(18)23)14-6-4-5-13(2)11-14/h4-12H,3H2,1-2H3
InChIKeySDLKIMUXNWFHKL-UHFFFAOYSA-N
MW401.26 g/mol
LogP4.49
Rot. Bonds5

About 5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one

5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one (PubChem CID 71497272) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is 5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one
PubChem CID71497272
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one
SMILESCCOc1ccc(Oc2c(Br)cnn(-c3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C19H17BrN2O3/c1-3-24-15-7-9-16(10-8-15)25-18-17(20)12-21-22(19(18)23)14-6-4-5-13(2)11-14/h4-12H,3H2,1-2H3
InChIKeySDLKIMUXNWFHKL-UHFFFAOYSA-N
XLogP4.49
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)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

2-(3-bromophenyl)-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46846322
5-chloro-2-(3-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
CID 50904509
4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylphenyl)phthalazin-1-one
CID 50928304
4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one
CID 24997707
5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46846317
4-bromo-5-ethoxy-2-(4-methylphenyl)pyridazin-3-one
CID 1487499
5-chloro-2-(3,5-dimethylphenyl)-4-(3-methoxyphenoxy)pyridazin-3-one
CID 50904508
1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole
CID 107958440
1-(4-ethoxyphenyl)-3-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 4750079
ethyl 5-chloro-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 21289675
5-iodo-2-(3-methylphenyl)pyridazin-3-one
CID 24997710
4-(bromomethyl)-5-ethyl-1-(3-methylphenyl)pyrazole
CID 66436392

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one?
The IUPAC name of 5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one (CID 71497272) is 5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one?
The canonical SMILES for 5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one is CCOc1ccc(Oc2c(Br)cnn(-c3cccc(C)c3)c2=O)cc1.
What is the InChIKey of 5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one?
The InChIKey is SDLKIMUXNWFHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-3-24-15-7-9-16(10-8-15)25-18-17(20)12-21-22(19(18)23)14-6-4-5-13(2)11-14/h4-12H,3H2,1-2H3.
What are the key properties of 5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one?
5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one has a molecular weight of 401.26 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 71497272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).