7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione

C11H5Cl2N3O3 — CID 18929959

IUPAC7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione
SMILESO=c1[nH][nH]c(=O)c2c(=O)c3c(Cl)cc(Cl)cc3[nH]c12
InChIInChI=1S/C11H5Cl2N3O3/c12-3-1-4(13)6-5(2-3)14-8-7(9(6)17)10(18)15-16-11(8)19/h1-2H,(H,14,17)(H,15,18)(H,16,19)
InChIKeyZHKXUMGWWSETDH-UHFFFAOYSA-N
MW298.09 g/mol
LogP1.36
Rot. Bonds

About 7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione

7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione (PubChem CID 18929959) has the molecular formula C11H5Cl2N3O3 and a molecular weight of 298.09 g/mol. Its IUPAC name is 7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione.

Molecular Properties

Compound Name7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione
PubChem CID18929959
Molecular FormulaC11H5Cl2N3O3
Molecular Weight298.09 g/mol
Exact Mass296.97
IUPAC Name7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione
SMILESO=c1[nH][nH]c(=O)c2c(=O)c3c(Cl)cc(Cl)cc3[nH]c12
InChIInChI=1S/C11H5Cl2N3O3/c12-3-1-4(13)6-5(2-3)14-8-7(9(6)17)10(18)15-16-11(8)19/h1-2H,(H,14,17)(H,15,18)(H,16,19)
InChIKeyZHKXUMGWWSETDH-UHFFFAOYSA-N
XLogP1.36
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione 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 7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione?
The IUPAC name of 7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione (CID 18929959) is 7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione.
What is the SMILES notation for 7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione?
The canonical SMILES for 7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione is O=c1[nH][nH]c(=O)c2c(=O)c3c(Cl)cc(Cl)cc3[nH]c12.
What is the InChIKey of 7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione?
The InChIKey is ZHKXUMGWWSETDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2N3O3/c12-3-1-4(13)6-5(2-3)14-8-7(9(6)17)10(18)15-16-11(8)19/h1-2H,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of 7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione?
7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione has a molecular weight of 298.09 g/mol, XLogP of 1.36, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione is sourced from PubChem (CID 18929959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).