4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

C23H28ClN5O — CID 136933121

IUPAC4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCN(c1ccc(-c2cc3c(Cl)ccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H28ClN5O/c1-22(2)12-14(13-23(3,4)28-22)29(5)21-7-6-18(26-27-21)16-10-15-17(24)8-9-25-19(15)11-20(16)30/h6-11,14,28,30H,12-13H2,1-5H3
InChIKeyOMAONLDTAXRLNK-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.80
Rot. Bonds3

About 4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 136933121) has the molecular formula C23H28ClN5O and a molecular weight of 425.96 g/mol. Its IUPAC name is 4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
PubChem CID136933121
Molecular FormulaC23H28ClN5O
Molecular Weight425.96 g/mol
Exact Mass425.20
IUPAC Name4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCN(c1ccc(-c2cc3c(Cl)ccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H28ClN5O/c1-22(2)12-14(13-23(3,4)28-22)29(5)21-7-6-18(26-27-21)16-10-15-17(24)8-9-25-19(15)11-20(16)30/h6-11,14,28,30H,12-13H2,1-5H3
InChIKeyOMAONLDTAXRLNK-UHFFFAOYSA-N
XLogP4.80
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol with MolForge

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Related Compounds

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
Vatalanib metabolite M26
CID 22741987
8-[[1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(dimethylamino)-3-ethylpyrazol-4-yl]methyl]quinolin-7-ol
CID 136416984
6-[6-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol
CID 166586393
6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinazolin-7-ol
CID 166586401
6-[6-[[(3S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586460
6-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586539
6-[6-[[(2S,3R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586549
6-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586558
6-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586609
6-[6-[[(1R,3R,5R)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (CID 136933121) is 4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.
What is the SMILES notation for 4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is CN(c1ccc(-c2cc3c(Cl)ccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is OMAONLDTAXRLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O/c1-22(2)12-14(13-23(3,4)28-22)29(5)21-7-6-18(26-27-21)16-10-15-17(24)8-9-25-19(15)11-20(16)30/h6-11,14,28,30H,12-13H2,1-5H3.
What are the key properties of 4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 425.96 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 136933121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).