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

C47H58Cl2N10O2 — CID 159367170

IUPAC4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCN(c1ccc(-c2cc3nccc(Cl)c3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cc1cc(Cl)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C24H30ClN5O.C23H28ClN5O/c1-14-9-18(25)16-10-17(21(31)11-20(16)26-14)19-7-8-22(28-27-19)30(6)15-12-23(2,3)29-24(4,5)13-15;1-22(2)12-14(13-23(3,4)28-22)29(5)21-7-6-18(26-27-21)16-10-19-15(11-20(16)30)17(24)8-9-25-19/h7-11,15,29,31H,12-13H2,1-6H3;6-11,14,28,30H,12-13H2,1-5H3
InChIKeyLJGUWAWOABVRNB-UHFFFAOYSA-N
MW865.96 g/mol
LogP9.90
Rot. Bonds6

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

4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (PubChem CID 159367170) has the molecular formula C47H58Cl2N10O2 and a molecular weight of 865.96 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
PubChem CID159367170
Molecular FormulaC47H58Cl2N10O2
Molecular Weight865.96 g/mol
Exact Mass864.41
IUPAC Name4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCN(c1ccc(-c2cc3nccc(Cl)c3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cc1cc(Cl)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C24H30ClN5O.C23H28ClN5O/c1-14-9-18(25)16-10-17(21(31)11-20(16)26-14)19-7-8-22(28-27-19)30(6)15-12-23(2,3)29-24(4,5)13-15;1-22(2)12-14(13-23(3,4)28-22)29(5)21-7-6-18(26-27-21)16-10-19-15(11-20(16)30)17(24)8-9-25-19/h7-11,15,29,31H,12-13H2,1-6H3;6-11,14,28,30H,12-13H2,1-5H3
InChIKeyLJGUWAWOABVRNB-UHFFFAOYSA-N
XLogP9.90
TPSA148.34 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500865.96
LogP ≤ 59.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-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
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-[[(1S,2S,3R,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 166586839
4-chloro-6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]quinolin-7-ol
CID 170630057
6-[6-[[(1R,2R,3S,5S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]quinolin-7-ol
CID 172767256
6-[6-[Methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 136607494
3-Ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 136607506
6-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-3,7-diol
CID 136607507
4-Chloro-2-methyl-6-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)quinolin-7-ol
CID 136607511
6-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-4-yl)quinolin-7-ol
CID 136607520
3-Chloro-6-[6-[methyl(2,2,6,6-tetramethyl-4-piperidinyl)amino]-3-pyridazinyl]-7-quinolinol
CID 136607522

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The IUPAC name of 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (CID 159367170) is 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.
What is the SMILES notation for 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The canonical SMILES for 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is CN(c1ccc(-c2cc3nccc(Cl)c3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cc1cc(Cl)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1.
What is the InChIKey of 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The InChIKey is LJGUWAWOABVRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O.C23H28ClN5O/c1-14-9-18(25)16-10-17(21(31)11-20(16)26-14)19-7-8-22(28-27-19)30(6)15-12-23(2,3)29-24(4,5)13-15;1-22(2)12-14(13-23(3,4)28-22)29(5)21-7-6-18(26-27-21)16-10-19-15(11-20(16)30)17(24)8-9-25-19/h7-11,15,29,31H,12-13H2,1-6H3;6-11,14,28,30H,12-13H2,1-5H3.
What are the key properties of 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol has a molecular weight of 865.96 g/mol, XLogP of 9.90, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is sourced from PubChem (CID 159367170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).