8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione

C11H5Cl2N3O2 — CID 21473998

IUPAC8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione
SMILESO=c1[nH]ncc2c1c(=O)[nH]c1cc(Cl)c(Cl)cc12
InChIInChI=1S/C11H5Cl2N3O2/c12-6-1-4-5-3-14-16-11(18)9(5)10(17)15-8(4)2-7(6)13/h1-3H,(H,15,17)(H,16,18)
InChIKeyITKGGZXQHPXDEE-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.07
Rot. Bonds

About 8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione

8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione (PubChem CID 21473998) has the molecular formula C11H5Cl2N3O2 and a molecular weight of 282.09 g/mol. Its IUPAC name is 8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione.

Molecular Properties

Compound Name8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione
PubChem CID21473998
Molecular FormulaC11H5Cl2N3O2
Molecular Weight282.09 g/mol
Exact Mass280.98
IUPAC Name8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione
SMILESO=c1[nH]ncc2c1c(=O)[nH]c1cc(Cl)c(Cl)cc12
InChIInChI=1S/C11H5Cl2N3O2/c12-6-1-4-5-3-14-16-11(18)9(5)10(17)15-8(4)2-7(6)13/h1-3H,(H,15,17)(H,16,18)
InChIKeyITKGGZXQHPXDEE-UHFFFAOYSA-N
XLogP2.07
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione?
The IUPAC name of 8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione (CID 21473998) is 8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione.
What is the SMILES notation for 8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione?
The canonical SMILES for 8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione is O=c1[nH]ncc2c1c(=O)[nH]c1cc(Cl)c(Cl)cc12.
What is the InChIKey of 8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione?
The InChIKey is ITKGGZXQHPXDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2N3O2/c12-6-1-4-5-3-14-16-11(18)9(5)10(17)15-8(4)2-7(6)13/h1-3H,(H,15,17)(H,16,18).
What are the key properties of 8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione?
8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione has a molecular weight of 282.09 g/mol, XLogP of 2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-3,6-dihydropyridazino[4,5-c]quinoline-4,5-dione is sourced from PubChem (CID 21473998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).