5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde

C19H16ClN3O2 — CID 87716658

IUPAC5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde
SMILESCCn1nc(-c2ccccc2)c(C=O)c(Nc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H16ClN3O2/c1-2-23-19(25)18(21-15-10-6-9-14(20)11-15)16(12-24)17(22-23)13-7-4-3-5-8-13/h3-12,21H,2H2,1H3
InChIKeyIQJXVUYRDWSYRO-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.14
Rot. Bonds5

About 5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde

5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde (PubChem CID 87716658) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde.

Molecular Properties

Compound Name5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde
PubChem CID87716658
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde
SMILESCCn1nc(-c2ccccc2)c(C=O)c(Nc2cccc(Cl)c2)c1=O
InChIInChI=1S/C19H16ClN3O2/c1-2-23-19(25)18(21-15-10-6-9-14(20)11-15)16(12-24)17(22-23)13-7-4-3-5-8-13/h3-12,21H,2H2,1H3
InChIKeyIQJXVUYRDWSYRO-UHFFFAOYSA-N
XLogP4.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde?
The IUPAC name of 5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde (CID 87716658) is 5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde.
What is the SMILES notation for 5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde?
The canonical SMILES for 5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde is CCn1nc(-c2ccccc2)c(C=O)c(Nc2cccc(Cl)c2)c1=O.
What is the InChIKey of 5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde?
The InChIKey is IQJXVUYRDWSYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-2-23-19(25)18(21-15-10-6-9-14(20)11-15)16(12-24)17(22-23)13-7-4-3-5-8-13/h3-12,21H,2H2,1H3.
What are the key properties of 5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde?
5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde has a molecular weight of 353.81 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-1-ethyl-6-oxo-3-phenylpyridazine-4-carbaldehyde is sourced from PubChem (CID 87716658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).