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

C51H68N10O2 — CID 159167474

IUPAC3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol
SMILESCC(C)c1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1.CCc1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1
InChIInChI=1S/C26H35N5O.C25H33N5O/c1-16(2)18-10-17-11-20(23(32)12-22(17)27-15-18)21-8-9-24(29-28-21)31(7)19-13-25(3,4)30-26(5,6)14-19;1-7-16-10-17-11-19(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/h8-12,15-16,19,30,32H,13-14H2,1-7H3;8-12,15,18,29,31H,7,13-14H2,1-6H3
InChIKeyKLGIQBKYHVHCJU-UHFFFAOYSA-N
MW853.17 g/mol
LogP9.97
Rot. Bonds8

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

3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol (PubChem CID 159167474) has the molecular formula C51H68N10O2 and a molecular weight of 853.17 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;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol.

Molecular Properties

Compound Name3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol
PubChem CID159167474
Molecular FormulaC51H68N10O2
Molecular Weight853.17 g/mol
Exact Mass852.55
IUPAC Name3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol
SMILESCC(C)c1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1.CCc1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1
InChIInChI=1S/C26H35N5O.C25H33N5O/c1-16(2)18-10-17-11-20(23(32)12-22(17)27-15-18)21-8-9-24(29-28-21)31(7)19-13-25(3,4)30-26(5,6)14-19;1-7-16-10-17-11-19(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/h8-12,15-16,19,30,32H,13-14H2,1-7H3;8-12,15,18,29,31H,7,13-14H2,1-6H3
InChIKeyKLGIQBKYHVHCJU-UHFFFAOYSA-N
XLogP9.97
TPSA148.34 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500853.17
LogP ≤ 59.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol with MolForge

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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;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-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;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol (CID 159167474) is 3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-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;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-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;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol is CC(C)c1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1.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;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol?
The InChIKey is KLGIQBKYHVHCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O.C25H33N5O/c1-16(2)18-10-17-11-20(23(32)12-22(17)27-15-18)21-8-9-24(29-28-21)31(7)19-13-25(3,4)30-26(5,6)14-19;1-7-16-10-17-11-19(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/h8-12,15-16,19,30,32H,13-14H2,1-7H3;8-12,15,18,29,31H,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;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol?
3-ethyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol has a molecular weight of 853.17 g/mol, XLogP of 9.97, 8 rotatable bonds, 4 hydrogen bond donors, and 12 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;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol is sourced from PubChem (CID 159167474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).