4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one

C19H16BrClN4O3 — CID 2791389

IUPAC4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
SMILESCOc1cc(C=NNc2cn[nH]c(=O)c2Cl)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C19H16BrClN4O3/c1-27-17-8-13(9-22-24-15-10-23-25-19(26)18(15)21)4-7-16(17)28-11-12-2-5-14(20)6-3-12/h2-10H,11H2,1H3,(H2,24,25,26)
InChIKeyLNJSLKLDFKBMDL-UHFFFAOYSA-N
MW463.72 g/mol
LogP4.22
Rot. Bonds7

About 4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one

4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one (PubChem CID 2791389) has the molecular formula C19H16BrClN4O3 and a molecular weight of 463.72 g/mol. Its IUPAC name is 4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
PubChem CID2791389
Molecular FormulaC19H16BrClN4O3
Molecular Weight463.72 g/mol
Exact Mass462.01
IUPAC Name4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
SMILESCOc1cc(C=NNc2cn[nH]c(=O)c2Cl)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C19H16BrClN4O3/c1-27-17-8-13(9-22-24-15-10-23-25-19(26)18(15)21)4-7-16(17)28-11-12-2-5-14(20)6-3-12/h2-10H,11H2,1H3,(H2,24,25,26)
InChIKeyLNJSLKLDFKBMDL-UHFFFAOYSA-N
XLogP4.22
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.72
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-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

5-chloro-4-[(2E)-2-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110340162
5-chloro-4-[(2Z)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538095
[4-[(E)-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 110341005
5-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789179
5-chloro-4-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538073
5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509803
5-chloro-4-[(2E)-2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338972
5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689805
5-[(2E)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110340177
4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 136926282
5-chloro-4-[(2Z)-2-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509757
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059945

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one (CID 2791389) is 4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one is COc1cc(C=NNc2cn[nH]c(=O)c2Cl)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of 4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one?
The InChIKey is LNJSLKLDFKBMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN4O3/c1-27-17-8-13(9-22-24-15-10-23-25-19(26)18(15)21)4-7-16(17)28-11-12-2-5-14(20)6-3-12/h2-10H,11H2,1H3,(H2,24,25,26).
What are the key properties of 4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one?
4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one has a molecular weight of 463.72 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 2791389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).