6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

C46H58N10O2 — CID 158577268

IUPAC6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCN(c1ccc(-c2c(O)ccc3cccnc23)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3ccncc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/2C23H29N5O/c1-22(2)13-16(14-23(3,4)27-22)28(5)19-11-9-17(25-26-19)20-18(29)10-8-15-7-6-12-24-21(15)20;1-22(2)12-17(13-23(3,4)27-22)28(5)21-7-6-19(25-26-21)18-10-15-8-9-24-14-16(15)11-20(18)29/h6-12,16,27,29H,13-14H2,1-5H3;6-11,14,17,27,29H,12-13H2,1-5H3
InChIKeyHSUUZFUUXHQNPK-UHFFFAOYSA-N
MW783.04 g/mol
LogP8.29
Rot. Bonds6

About 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 158577268) has the molecular formula C46H58N10O2 and a molecular weight of 783.04 g/mol. Its IUPAC name is 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
PubChem CID158577268
Molecular FormulaC46H58N10O2
Molecular Weight783.04 g/mol
Exact Mass782.47
IUPAC Name6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCN(c1ccc(-c2c(O)ccc3cccnc23)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3ccncc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/2C23H29N5O/c1-22(2)13-16(14-23(3,4)27-22)28(5)19-11-9-17(25-26-19)20-18(29)10-8-15-7-6-12-24-21(15)20;1-22(2)12-17(13-23(3,4)27-22)28(5)21-7-6-19(25-26-21)18-10-15-8-9-24-14-16(15)11-20(18)29/h6-12,16,27,29H,13-14H2,1-5H3;6-11,14,17,27,29H,12-13H2,1-5H3
InChIKeyHSUUZFUUXHQNPK-UHFFFAOYSA-N
XLogP8.29
TPSA148.34 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500783.04
LogP ≤ 58.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (CID 158577268) is 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.
What is the SMILES notation for 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is CN(c1ccc(-c2c(O)ccc3cccnc23)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3ccncc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is HSUUZFUUXHQNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H29N5O/c1-22(2)13-16(14-23(3,4)27-22)28(5)19-11-9-17(25-26-19)20-18(29)10-8-15-7-6-12-24-21(15)20;1-22(2)12-17(13-23(3,4)27-22)28(5)21-7-6-19(25-26-21)18-10-15-8-9-24-14-16(15)11-20(18)29/h6-12,16,27,29H,13-14H2,1-5H3;6-11,14,17,27,29H,12-13H2,1-5H3.
What are the key properties of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 783.04 g/mol, XLogP of 8.29, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;8-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 158577268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).