2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid

C24H24N4O4 — CID 67549685

IUPAC2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid
SMILESCCN1C(=O)C(Nc2cncc3ccccc23)C=C(C(=O)O)N1CCOc1ccccc1
InChIInChI=1S/C24H24N4O4/c1-2-27-23(29)20(26-21-16-25-15-17-8-6-7-11-19(17)21)14-22(24(30)31)28(27)12-13-32-18-9-4-3-5-10-18/h3-11,14-16,20,26H,2,12-13H2,1H3,(H,30,31)
InChIKeyBZYYTXDQTURRST-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.14
Rot. Bonds8

About 2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid

2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid (PubChem CID 67549685) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid
PubChem CID67549685
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid
SMILESCCN1C(=O)C(Nc2cncc3ccccc23)C=C(C(=O)O)N1CCOc1ccccc1
InChIInChI=1S/C24H24N4O4/c1-2-27-23(29)20(26-21-16-25-15-17-8-6-7-11-19(17)21)14-22(24(30)31)28(27)12-13-32-18-9-4-3-5-10-18/h3-11,14-16,20,26H,2,12-13H2,1H3,(H,30,31)
InChIKeyBZYYTXDQTURRST-UHFFFAOYSA-N
XLogP3.14
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid?
The IUPAC name of 2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid (CID 67549685) is 2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid?
The canonical SMILES for 2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid is CCN1C(=O)C(Nc2cncc3ccccc23)C=C(C(=O)O)N1CCOc1ccccc1.
What is the InChIKey of 2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid?
The InChIKey is BZYYTXDQTURRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-2-27-23(29)20(26-21-16-25-15-17-8-6-7-11-19(17)21)14-22(24(30)31)28(27)12-13-32-18-9-4-3-5-10-18/h3-11,14-16,20,26H,2,12-13H2,1H3,(H,30,31).
What are the key properties of 2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid?
2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid has a molecular weight of 432.48 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(isoquinolin-4-ylamino)-3-oxo-1-(2-phenoxyethyl)-4H-pyridazine-6-carboxylic acid is sourced from PubChem (CID 67549685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).