4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one

C20H19ClN4O3 — CID 110339288

IUPAC4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
SMILESCCOc1c(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)cccc1OC
InChIInChI=1S/C20H19ClN4O3/c1-3-28-19-14(8-7-11-17(19)27-2)12-22-24-16-13-23-25(20(26)18(16)21)15-9-5-4-6-10-15/h4-13,24H,3H2,1-2H3/b22-12+
InChIKeyVTFFEXFWGYODKY-WSDLNYQXSA-N
MW398.85 g/mol
LogP3.74
Rot. Bonds7

About 4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one

4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one (PubChem CID 110339288) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
PubChem CID110339288
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
SMILESCCOc1c(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)cccc1OC
InChIInChI=1S/C20H19ClN4O3/c1-3-28-19-14(8-7-11-17(19)27-2)12-22-24-16-13-23-25(20(26)18(16)21)15-9-5-4-6-10-15/h4-13,24H,3H2,1-2H3/b22-12+
InChIKeyVTFFEXFWGYODKY-WSDLNYQXSA-N
XLogP3.74
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 112538298
4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 45135345
5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538082
5-[(2Z)-2-[(2-bromo-3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-phenylpyridazin-3-one
CID 112538291
4-chloro-5-[(2Z)-2-[(3-ethoxy-4-methoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110512559
4-chloro-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 5231061
4-chloro-5-[(2E)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110338610
4-chloro-5-[(2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136787505
4-chloro-5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136732809
4-chloro-5-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 136787509
4-chloro-5-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110339399
4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one
CID 6054872

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one (CID 110339288) is 4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one is CCOc1c(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)cccc1OC.
What is the InChIKey of 4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one?
The InChIKey is VTFFEXFWGYODKY-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-3-28-19-14(8-7-11-17(19)27-2)12-22-24-16-13-23-25(20(26)18(16)21)15-9-5-4-6-10-15/h4-13,24H,3H2,1-2H3/b22-12+.
What are the key properties of 4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one?
4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one has a molecular weight of 398.85 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 110339288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).