4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C50H66N10O2 — CID 137046694

IUPAC4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCCOc1cc(C)nc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc12.Cc1ccc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)ccc2n1
InChIInChI=1S/C26H35N5O2.C24H31N5/c1-8-33-23-11-16(2)27-21-13-22(32)18(12-19(21)23)20-9-10-24(29-28-20)31(7)17-14-25(3,4)30-26(5,6)15-17;1-16-7-8-17-13-18(9-10-20(17)25-16)21-11-12-22(27-26-21)29(6)19-14-23(2,3)28-24(4,5)15-19/h9-13,17,30,32H,8,14-15H2,1-7H3;7-13,19,28H,14-15H2,1-6H3
InChIKeyNZHYNEOTQQUNDY-UHFFFAOYSA-N
MW839.15 g/mol
LogP9.60
Rot. Bonds8

About 4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 137046694) has the molecular formula C50H66N10O2 and a molecular weight of 839.15 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID137046694
Molecular FormulaC50H66N10O2
Molecular Weight839.15 g/mol
Exact Mass838.54
IUPAC Name4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCCOc1cc(C)nc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc12.Cc1ccc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)ccc2n1
InChIInChI=1S/C26H35N5O2.C24H31N5/c1-8-33-23-11-16(2)27-21-13-22(32)18(12-19(21)23)20-9-10-24(29-28-20)31(7)17-14-25(3,4)30-26(5,6)15-17;1-16-7-8-17-13-18(9-10-20(17)25-16)21-11-12-22(27-26-21)29(6)19-14-23(2,3)28-24(4,5)15-19/h9-13,17,30,32H,8,14-15H2,1-7H3;7-13,19,28H,14-15H2,1-6H3
InChIKeyNZHYNEOTQQUNDY-UHFFFAOYSA-N
XLogP9.60
TPSA137.34 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500839.15
LogP ≤ 59.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 137046694) is 4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is CCOc1cc(C)nc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc12.Cc1ccc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)ccc2n1.
What is the InChIKey of 4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is NZHYNEOTQQUNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2.C24H31N5/c1-8-33-23-11-16(2)27-21-13-22(32)18(12-19(21)23)20-9-10-24(29-28-20)31(7)17-14-25(3,4)30-26(5,6)15-17;1-16-7-8-17-13-18(9-10-20(17)25-16)21-11-12-22(27-26-21)29(6)19-14-23(2,3)28-24(4,5)15-19/h9-13,17,30,32H,8,14-15H2,1-7H3;7-13,19,28H,14-15H2,1-6H3.
What are the key properties of 4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 839.15 g/mol, XLogP of 9.60, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(2-methylquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 137046694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).