4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one

C19H17ClN4O3 — CID 45135345

IUPAC4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
SMILESCOc1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)c(OC)c1
InChIInChI=1S/C19H17ClN4O3/c1-26-15-9-8-13(17(10-15)27-2)11-21-23-16-12-22-24(19(25)18(16)20)14-6-4-3-5-7-14/h3-12,23H,1-2H3/b21-11+
InChIKeyICECVTHRVAHRQP-SRZZPIQSSA-N
MW384.82 g/mol
LogP3.35
Rot. Bonds6

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

4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one (PubChem CID 45135345) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
PubChem CID45135345
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
SMILESCOc1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)c(OC)c1
InChIInChI=1S/C19H17ClN4O3/c1-26-15-9-8-13(17(10-15)27-2)11-21-23-16-12-22-24(19(25)18(16)20)14-6-4-3-5-7-14/h3-12,23H,1-2H3/b21-11+
InChIKeyICECVTHRVAHRQP-SRZZPIQSSA-N
XLogP3.35
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.35
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-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
CID 110512658
4-chloro-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 5231061
4-chloro-5-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110339399
4-chloro-5-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 136787509
5-[(2Z)-2-[(2-bromo-3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-phenylpyridazin-3-one
CID 112538291
4-chloro-5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136732809
4-chloro-5-[(2E)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110339288
4-chloro-5-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 112538298
4-chloro-5-[(2Z)-2-[(4-methoxy-3-propan-2-yloxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110512592
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one (CID 45135345) is 4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one is COc1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)c(OC)c1.
What is the InChIKey of 4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one?
The InChIKey is ICECVTHRVAHRQP-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-26-15-9-8-13(17(10-15)27-2)11-21-23-16-12-22-24(19(25)18(16)20)14-6-4-3-5-7-14/h3-12,23H,1-2H3/b21-11+.
What are the key properties of 4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one?
4-chloro-5-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one has a molecular weight of 384.82 g/mol, XLogP of 3.35, 6 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-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 45135345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).