2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione

C11H7N3O2 — CID 22321575

IUPAC2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione
SMILESO=c1[nH]ncc2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C11H7N3O2/c15-10-6-3-1-2-4-7(6)13-8-5-12-14-11(16)9(8)10/h1-5H,(H,13,15)(H,14,16)
InChIKeyKTFMEIBKYLAVLI-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.76
Rot. Bonds

About 2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione

2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione (PubChem CID 22321575) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione.

Molecular Properties

Compound Name2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione
PubChem CID22321575
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione
SMILESO=c1[nH]ncc2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C11H7N3O2/c15-10-6-3-1-2-4-7(6)13-8-5-12-14-11(16)9(8)10/h1-5H,(H,13,15)(H,14,16)
InChIKeyKTFMEIBKYLAVLI-UHFFFAOYSA-N
XLogP0.76
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione?
The IUPAC name of 2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione (CID 22321575) is 2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione.
What is the SMILES notation for 2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione?
The canonical SMILES for 2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione is O=c1[nH]ncc2[nH]c3ccccc3c(=O)c12.
What is the InChIKey of 2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione?
The InChIKey is KTFMEIBKYLAVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-10-6-3-1-2-4-7(6)13-8-5-12-14-11(16)9(8)10/h1-5H,(H,13,15)(H,14,16).
What are the key properties of 2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione?
2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione has a molecular weight of 213.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione is sourced from PubChem (CID 22321575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).