6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one

C24H20N4O4 — CID 20934600

IUPAC6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H20N4O4/c29-22-11-10-21(25-28(22)18-7-2-1-3-8-18)26-12-14-27(15-13-26)23(30)19-16-17-6-4-5-9-20(17)32-24(19)31/h1-11,16H,12-15H2
InChIKeyBVHGOOSQQQGKDS-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.30
Rot. Bonds3

About 6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one

6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 20934600) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID20934600
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H20N4O4/c29-22-11-10-21(25-28(22)18-7-2-1-3-8-18)26-12-14-27(15-13-26)23(30)19-16-17-6-4-5-9-20(17)32-24(19)31/h1-11,16H,12-15H2
InChIKeyBVHGOOSQQQGKDS-UHFFFAOYSA-N
XLogP2.30
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one 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 6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one (CID 20934600) is 6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one is O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1.
What is the InChIKey of 6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is BVHGOOSQQQGKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c29-22-11-10-21(25-28(22)18-7-2-1-3-8-18)26-12-14-27(15-13-26)23(30)19-16-17-6-4-5-9-20(17)32-24(19)31/h1-11,16H,12-15H2.
What are the key properties of 6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 428.45 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 20934600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).