3-quinolin-6-yl-1H-pyridazin-6-one

C13H9N3O — CID 106519623

IUPAC3-quinolin-6-yl-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc3ncccc3c2)n[nH]1
InChIInChI=1S/C13H9N3O/c17-13-6-5-12(15-16-13)10-3-4-11-9(8-10)2-1-7-14-11/h1-8H,(H,16,17)
InChIKeyZZLMVKKRSIZKFY-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.99
Rot. Bonds1

About 3-quinolin-6-yl-1H-pyridazin-6-one

3-quinolin-6-yl-1H-pyridazin-6-one (PubChem CID 106519623) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-quinolin-6-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-quinolin-6-yl-1H-pyridazin-6-one
PubChem CID106519623
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name3-quinolin-6-yl-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc3ncccc3c2)n[nH]1
InChIInChI=1S/C13H9N3O/c17-13-6-5-12(15-16-13)10-3-4-11-9(8-10)2-1-7-14-11/h1-8H,(H,16,17)
InChIKeyZZLMVKKRSIZKFY-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(6-chloropyridazin-3-yl)quinoline
CID 81221489
6-(1H-azirin-2-yl)quinoline
CID 146540612
3-(1H-indol-5-yl)-1H-pyridazin-6-one
CID 170567503
6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875043
5-propan-2-yl-4-quinolin-6-yl-1H-pyrimidin-6-one
CID 136769605
1-[(5-quinolin-6-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
CID 126610605
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-2-pyridinyl]quinoline
CID 122416232
8,8-dimethyl-4,12-di(quinolin-6-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58516892
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217
4-propan-2-yl-3-quinolin-6-yl-1H-1,2,4-triazole-5-thione
CID 115390219
(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 63097229
6-quinolin-6-ylpyrazin-2-amine
CID 81222208

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-6-yl-1H-pyridazin-6-one?
The IUPAC name of 3-quinolin-6-yl-1H-pyridazin-6-one (CID 106519623) is 3-quinolin-6-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-quinolin-6-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-quinolin-6-yl-1H-pyridazin-6-one is O=c1ccc(-c2ccc3ncccc3c2)n[nH]1.
What is the InChIKey of 3-quinolin-6-yl-1H-pyridazin-6-one?
The InChIKey is ZZLMVKKRSIZKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-13-6-5-12(15-16-13)10-3-4-11-9(8-10)2-1-7-14-11/h1-8H,(H,16,17).
What are the key properties of 3-quinolin-6-yl-1H-pyridazin-6-one?
3-quinolin-6-yl-1H-pyridazin-6-one has a molecular weight of 223.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-6-yl-1H-pyridazin-6-one is sourced from PubChem (CID 106519623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).