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

C28H38N6O2 — CID 136607548

IUPAC2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol
SMILESCc1cc(N2CCOCC2)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C28H38N6O2/c1-18-13-24(34-9-11-36-12-10-34)20-14-21(25(35)15-23(20)29-18)22-7-8-26(31-30-22)33(6)19-16-27(2,3)32-28(4,5)17-19/h7-8,13-15,19,32,35H,9-12,16-17H2,1-6H3
InChIKeyYNHWGIUAGQVDHU-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.29
Rot. Bonds4

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

2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol (PubChem CID 136607548) has the molecular formula C28H38N6O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol.

Molecular Properties

Compound Name2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol
PubChem CID136607548
Molecular FormulaC28H38N6O2
Molecular Weight490.65 g/mol
Exact Mass490.31
IUPAC Name2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol
SMILESCc1cc(N2CCOCC2)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C28H38N6O2/c1-18-13-24(34-9-11-36-12-10-34)20-14-21(25(35)15-23(20)29-18)22-7-8-26(31-30-22)33(6)19-16-27(2,3)32-28(4,5)17-19/h7-8,13-15,19,32,35H,9-12,16-17H2,1-6H3
InChIKeyYNHWGIUAGQVDHU-UHFFFAOYSA-N
XLogP4.29
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol?
The IUPAC name of 2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol (CID 136607548) is 2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol.
What is the SMILES notation for 2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol?
The canonical SMILES for 2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol is Cc1cc(N2CCOCC2)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1.
What is the InChIKey of 2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol?
The InChIKey is YNHWGIUAGQVDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O2/c1-18-13-24(34-9-11-36-12-10-34)20-14-21(25(35)15-23(20)29-18)22-7-8-26(31-30-22)33(6)19-16-27(2,3)32-28(4,5)17-19/h7-8,13-15,19,32,35H,9-12,16-17H2,1-6H3.
What are the key properties of 2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol?
2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol has a molecular weight of 490.65 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-morpholin-4-ylquinolin-7-ol is sourced from PubChem (CID 136607548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).