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

C25H33N5O — CID 136607506

IUPAC3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCCc1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1
InChIInChI=1S/C25H33N5O/c1-7-16-10-17-11-19(22(31)12-21(17)26-15-16)20-8-9-23(28-27-20)30(6)18-13-24(2,3)29-25(4,5)14-18/h8-12,15,18,29,31H,7,13-14H2,1-6H3
InChIKeyPQTSGRNTENIYJY-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.71
Rot. Bonds4

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

3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 136607506) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
PubChem CID136607506
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCCc1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1
InChIInChI=1S/C25H33N5O/c1-7-16-10-17-11-19(22(31)12-21(17)26-15-16)20-8-9-23(28-27-20)30(6)18-13-24(2,3)29-25(4,5)14-18/h8-12,15,18,29,31H,7,13-14H2,1-6H3
InChIKeyPQTSGRNTENIYJY-UHFFFAOYSA-N
XLogP4.71
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (CID 136607506) is 3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.
What is the SMILES notation for 3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is CCc1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1.
What is the InChIKey of 3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is PQTSGRNTENIYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-7-16-10-17-11-19(22(31)12-21(17)26-15-16)20-8-9-23(28-27-20)30(6)18-13-24(2,3)29-25(4,5)14-18/h8-12,15,18,29,31H,7,13-14H2,1-6H3.
What are the key properties of 3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 419.57 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 136607506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).