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

C11H6FN3O3 — CID 18929961

IUPAC7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione
SMILESO=c1[nH][nH]c(=O)c2c(=O)c3ccc(F)cc3[nH]c12
InChIInChI=1S/C11H6FN3O3/c12-4-1-2-5-6(3-4)13-8-7(9(5)16)10(17)14-15-11(8)18/h1-3H,(H,13,16)(H,14,17)(H,15,18)
InChIKeySZAMLSXFNGWGOT-UHFFFAOYSA-N
MW247.19 g/mol
LogP0.20
Rot. Bonds

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

7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione (PubChem CID 18929961) has the molecular formula C11H6FN3O3 and a molecular weight of 247.19 g/mol. Its IUPAC name is 7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione.

Molecular Properties

Compound Name7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione
PubChem CID18929961
Molecular FormulaC11H6FN3O3
Molecular Weight247.19 g/mol
Exact Mass247.04
IUPAC Name7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione
SMILESO=c1[nH][nH]c(=O)c2c(=O)c3ccc(F)cc3[nH]c12
InChIInChI=1S/C11H6FN3O3/c12-4-1-2-5-6(3-4)13-8-7(9(5)16)10(17)14-15-11(8)18/h1-3H,(H,13,16)(H,14,17)(H,15,18)
InChIKeySZAMLSXFNGWGOT-UHFFFAOYSA-N
XLogP0.20
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 50.20
H-Bond Donors ≤ 53
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 7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione?
The IUPAC name of 7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione (CID 18929961) is 7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione.
What is the SMILES notation for 7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione?
The canonical SMILES for 7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione is O=c1[nH][nH]c(=O)c2c(=O)c3ccc(F)cc3[nH]c12.
What is the InChIKey of 7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione?
The InChIKey is SZAMLSXFNGWGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O3/c12-4-1-2-5-6(3-4)13-8-7(9(5)16)10(17)14-15-11(8)18/h1-3H,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of 7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione?
7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione has a molecular weight of 247.19 g/mol, XLogP of 0.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione is sourced from PubChem (CID 18929961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).