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

C25H33N5O — CID 137197135

IUPAC2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCc1cc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2nc1C
InChIInChI=1S/C25H33N5O/c1-15-10-17-11-22(31)19(12-21(17)26-16(15)2)20-8-9-23(28-27-20)30(7)18-13-24(3,4)29-25(5,6)14-18/h8-12,18,29,31H,13-14H2,1-7H3
InChIKeyXOCRDFLLHNPFLE-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.76
Rot. Bonds3

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

2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (PubChem CID 137197135) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.

Molecular Properties

Compound Name2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
PubChem CID137197135
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCc1cc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2nc1C
InChIInChI=1S/C25H33N5O/c1-15-10-17-11-22(31)19(12-21(17)26-16(15)2)20-8-9-23(28-27-20)30(7)18-13-24(3,4)29-25(5,6)14-18/h8-12,18,29,31H,13-14H2,1-7H3
InChIKeyXOCRDFLLHNPFLE-UHFFFAOYSA-N
XLogP4.76
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The IUPAC name of 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (CID 137197135) is 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.
What is the SMILES notation for 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The canonical SMILES for 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is Cc1cc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The InChIKey is XOCRDFLLHNPFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-15-10-17-11-22(31)19(12-21(17)26-16(15)2)20-8-9-23(28-27-20)30(7)18-13-24(3,4)29-25(5,6)14-18/h8-12,18,29,31H,13-14H2,1-7H3.
What are the key properties of 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol has a molecular weight of 419.57 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is sourced from PubChem (CID 137197135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).