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

C46H59N11O3 — CID 157186950

IUPAC4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol
SMILESCN(c1ccc(-c2cc3nccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1ccnc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc12
InChIInChI=1S/C24H31N5O2.C22H28N6O/c1-23(2)13-15(14-24(3,4)28-23)29(5)22-8-7-18(26-27-22)16-11-19-17(12-20(16)30)21(31-6)9-10-25-19;1-21(2)12-14(13-22(3,4)27-21)28(5)20-7-6-16(25-26-20)15-10-17-18(11-19(15)29)24-9-8-23-17/h7-12,15,28,30H,13-14H2,1-6H3;6-11,14,27,29H,12-13H2,1-5H3
InChIKeyAPFRTYZJEPTPAN-UHFFFAOYSA-N
MW814.05 g/mol
LogP7.69
Rot. Bonds7

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

4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol (PubChem CID 157186950) has the molecular formula C46H59N11O3 and a molecular weight of 814.05 g/mol. Its IUPAC name is 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol.

Molecular Properties

Compound Name4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol
PubChem CID157186950
Molecular FormulaC46H59N11O3
Molecular Weight814.05 g/mol
Exact Mass813.48
IUPAC Name4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol
SMILESCN(c1ccc(-c2cc3nccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1ccnc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc12
InChIInChI=1S/C24H31N5O2.C22H28N6O/c1-23(2)13-15(14-24(3,4)28-23)29(5)22-8-7-18(26-27-22)16-11-19-17(12-20(16)30)21(31-6)9-10-25-19;1-21(2)12-14(13-22(3,4)27-21)28(5)20-7-6-16(25-26-20)15-10-17-18(11-19(15)29)24-9-8-23-17/h7-12,15,28,30H,13-14H2,1-6H3;6-11,14,27,29H,12-13H2,1-5H3
InChIKeyAPFRTYZJEPTPAN-UHFFFAOYSA-N
XLogP7.69
TPSA170.46 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500814.05
LogP ≤ 57.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol?
The IUPAC name of 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol (CID 157186950) is 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol.
What is the SMILES notation for 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol?
The canonical SMILES for 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol is CN(c1ccc(-c2cc3nccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1ccnc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc12.
What is the InChIKey of 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol?
The InChIKey is APFRTYZJEPTPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2.C22H28N6O/c1-23(2)13-15(14-24(3,4)28-23)29(5)22-8-7-18(26-27-22)16-11-19-17(12-20(16)30)21(31-6)9-10-25-19;1-21(2)12-14(13-22(3,4)27-21)28(5)20-7-6-16(25-26-20)15-10-17-18(11-19(15)29)24-9-8-23-17/h7-12,15,28,30H,13-14H2,1-6H3;6-11,14,27,29H,12-13H2,1-5H3.
What are the key properties of 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol?
4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol has a molecular weight of 814.05 g/mol, XLogP of 7.69, 7 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol is sourced from PubChem (CID 157186950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).