6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol

C17H17N5O — CID 138630098

IUPAC6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol
SMILESOc1cc2ncccc2cc1-c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C17H17N5O/c23-16-11-15-12(2-1-5-19-15)10-13(16)14-3-4-17(21-20-14)22-8-6-18-7-9-22/h1-5,10-11,18,23H,6-9H2
InChIKeyRBPHMEHONNUZPL-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.81
Rot. Bonds2

About 6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol

6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol (PubChem CID 138630098) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol.

Molecular Properties

Compound Name6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol
PubChem CID138630098
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol
SMILESOc1cc2ncccc2cc1-c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C17H17N5O/c23-16-11-15-12(2-1-5-19-15)10-13(16)14-3-4-17(21-20-14)22-8-6-18-7-9-22/h1-5,10-11,18,23H,6-9H2
InChIKeyRBPHMEHONNUZPL-UHFFFAOYSA-N
XLogP1.81
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Hydroxyanilino)-4-(4-pyridylmethyl)phthalazine
CID 6419391
6-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 136607508
7-(6-(Methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)isoquinolin-6-ol
CID 136607554
2-[8-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[2,3-d]pyridazin-5-yl]-5-(trifluoromethyl)phenol
CID 166518667
2-[5-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[2,3-d]pyridazin-8-yl]-5-(trifluoromethyl)phenol
CID 166518684
4-[6-(4-Piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol
CID 136662815
2-(N-(2-fluoropiperazin-1-yl)anilino)-8-propan-2-ylquinazolin-7-ol
CID 136421267
8-cyclopentyl-2-(N-(2-fluoropiperazin-1-yl)anilino)quinazolin-7-ol
CID 136421296
8-cyclopentyl-2-(N-(3-fluoropiperazin-1-yl)anilino)quinazolin-7-ol
CID 136501152
2-(N-(3-fluoropiperazin-1-yl)anilino)-8-propan-2-ylquinazolin-7-ol
CID 136592086
7-[6-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]isoquinolin-6-ol
CID 154676839
7-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]isoquinolin-6-ol
CID 154676907

Frequently Asked Questions

What is the IUPAC name of 6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol?
The IUPAC name of 6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol (CID 138630098) is 6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol.
What is the SMILES notation for 6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol?
The canonical SMILES for 6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol is Oc1cc2ncccc2cc1-c1ccc(N2CCNCC2)nn1.
What is the InChIKey of 6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol?
The InChIKey is RBPHMEHONNUZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-16-11-15-12(2-1-5-19-15)10-13(16)14-3-4-17(21-20-14)22-8-6-18-7-9-22/h1-5,10-11,18,23H,6-9H2.
What are the key properties of 6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol?
6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol has a molecular weight of 307.36 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol is sourced from PubChem (CID 138630098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).