3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one

C11H9N3O — CID 140981878

IUPAC3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one
SMILESO=C1NNCc2nc3ccccc3cc21
InChIInChI=1S/C11H9N3O/c15-11-8-5-7-3-1-2-4-9(7)13-10(8)6-12-14-11/h1-5,12H,6H2,(H,14,15)
InChIKeyQZQWAEDYWKJIRM-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.98
Rot. Bonds

About 3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one

3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one (PubChem CID 140981878) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one.

Molecular Properties

Compound Name3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one
PubChem CID140981878
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one
SMILESO=C1NNCc2nc3ccccc3cc21
InChIInChI=1S/C11H9N3O/c15-11-8-5-7-3-1-2-4-9(7)13-10(8)6-12-14-11/h1-5,12H,6H2,(H,14,15)
InChIKeyQZQWAEDYWKJIRM-UHFFFAOYSA-N
XLogP0.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one?
The IUPAC name of 3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one (CID 140981878) is 3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one.
What is the SMILES notation for 3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one?
The canonical SMILES for 3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one is O=C1NNCc2nc3ccccc3cc21.
What is the InChIKey of 3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one?
The InChIKey is QZQWAEDYWKJIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-11-8-5-7-3-1-2-4-9(7)13-10(8)6-12-14-11/h1-5,12H,6H2,(H,14,15).
What are the key properties of 3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one?
3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one has a molecular weight of 199.21 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one is sourced from PubChem (CID 140981878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).