methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate

C25H31N5O3 — CID 136607472

IUPACmethyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate
SMILESCOC(=O)c1ccc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2n1
InChIInChI=1S/C25H31N5O3/c1-24(2)13-16(14-25(3,4)29-24)30(5)22-10-9-18(27-28-22)17-12-20-15(11-21(17)31)7-8-19(26-20)23(32)33-6/h7-12,16,29,31H,13-14H2,1-6H3
InChIKeyRHAHDEAGPRJBNP-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.93
Rot. Bonds4

About methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate

methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate (PubChem CID 136607472) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate
PubChem CID136607472
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Namemethyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate
SMILESCOC(=O)c1ccc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2n1
InChIInChI=1S/C25H31N5O3/c1-24(2)13-16(14-25(3,4)29-24)30(5)22-10-9-18(27-28-22)17-12-20-15(11-21(17)31)7-8-19(26-20)23(32)33-6/h7-12,16,29,31H,13-14H2,1-6H3
InChIKeyRHAHDEAGPRJBNP-UHFFFAOYSA-N
XLogP3.93
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate?
The IUPAC name of methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate (CID 136607472) is methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate?
The canonical SMILES for methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate is COC(=O)c1ccc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2n1.
What is the InChIKey of methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate?
The InChIKey is RHAHDEAGPRJBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-24(2)13-16(14-25(3,4)29-24)30(5)22-10-9-18(27-28-22)17-12-20-15(11-21(17)31)7-8-19(26-20)23(32)33-6/h7-12,16,29,31H,13-14H2,1-6H3.
What are the key properties of methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate?
methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate has a molecular weight of 449.56 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate is sourced from PubChem (CID 136607472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).