8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone

C12H10N2O4 — CID 22435245

IUPAC8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone
SMILESO=C1C=CN2C3C(=O)CC(=O)CC3=CC(=O)N2C1
InChIInChI=1S/C12H10N2O4/c15-8-1-2-13-12-7(3-9(16)5-10(12)17)4-11(18)14(13)6-8/h1-2,4,12H,3,5-6H2
InChIKeyPGQYYKYGFGWIQA-UHFFFAOYSA-N
MW246.22 g/mol
LogP-0.63
Rot. Bonds

About 8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone

8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone (PubChem CID 22435245) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone.

Molecular Properties

Compound Name8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone
PubChem CID22435245
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone
SMILESO=C1C=CN2C3C(=O)CC(=O)CC3=CC(=O)N2C1
InChIInChI=1S/C12H10N2O4/c15-8-1-2-13-12-7(3-9(16)5-10(12)17)4-11(18)14(13)6-8/h1-2,4,12H,3,5-6H2
InChIKeyPGQYYKYGFGWIQA-UHFFFAOYSA-N
XLogP-0.63
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone?
The IUPAC name of 8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone (CID 22435245) is 8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone.
What is the SMILES notation for 8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone?
The canonical SMILES for 8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone is O=C1C=CN2C3C(=O)CC(=O)CC3=CC(=O)N2C1.
What is the InChIKey of 8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone?
The InChIKey is PGQYYKYGFGWIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-8-1-2-13-12-7(3-9(16)5-10(12)17)4-11(18)14(13)6-8/h1-2,4,12H,3,5-6H2.
What are the key properties of 8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone?
8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone has a molecular weight of 246.22 g/mol, XLogP of -0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11a-dihydro-4H-pyridazino[1,2-a]cinnoline-3,6,9,11-tetrone is sourced from PubChem (CID 22435245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).