4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one

C21H21ClN4O5 — CID 110512658

IUPAC4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
SMILESCOc1ccc(-n2ncc(N/N=C\c3cc(OC)c(OC)cc3OC)c(Cl)c2=O)cc1
InChIInChI=1S/C21H21ClN4O5/c1-28-15-7-5-14(6-8-15)26-21(27)20(22)16(12-24-26)25-23-11-13-9-18(30-3)19(31-4)10-17(13)29-2/h5-12,25H,1-4H3/b23-11-
InChIKeyMORGUOZNPJXQOP-KSEXSDGBSA-N
MW444.88 g/mol
LogP3.37
Rot. Bonds8

About 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one

4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one (PubChem CID 110512658) has the molecular formula C21H21ClN4O5 and a molecular weight of 444.88 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
PubChem CID110512658
Molecular FormulaC21H21ClN4O5
Molecular Weight444.88 g/mol
Exact Mass444.12
IUPAC Name4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
SMILESCOc1ccc(-n2ncc(N/N=C\c3cc(OC)c(OC)cc3OC)c(Cl)c2=O)cc1
InChIInChI=1S/C21H21ClN4O5/c1-28-15-7-5-14(6-8-15)26-21(27)20(22)16(12-24-26)25-23-11-13-9-18(30-3)19(31-4)10-17(13)29-2/h5-12,25H,1-4H3/b23-11-
InChIKeyMORGUOZNPJXQOP-KSEXSDGBSA-N
XLogP3.37
TPSA96.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 45135345
4-chloro-5-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 136787509
4-chloro-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 5231061
4-chloro-5-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512710
4-chloro-5-[(2Z)-2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512634
4-chloro-5-[(2Z)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512659
4-chloro-5-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 136787528
4-chloro-5-[(2Z)-2-[(3-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512606
4-chloro-5-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110339399
4-chloro-5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136732809
5-[(2Z)-2-[(2-bromo-3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-phenylpyridazin-3-one
CID 112538291
4-chloro-5-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 112538298

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one (CID 110512658) is 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one is COc1ccc(-n2ncc(N/N=C\c3cc(OC)c(OC)cc3OC)c(Cl)c2=O)cc1.
What is the InChIKey of 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one?
The InChIKey is MORGUOZNPJXQOP-KSEXSDGBSA-N. The full InChI is InChI=1S/C21H21ClN4O5/c1-28-15-7-5-14(6-8-15)26-21(27)20(22)16(12-24-26)25-23-11-13-9-18(30-3)19(31-4)10-17(13)29-2/h5-12,25H,1-4H3/b23-11-.
What are the key properties of 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one?
4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one has a molecular weight of 444.88 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one is sourced from PubChem (CID 110512658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).