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

C26H35N5O — CID 136607534

IUPAC6-[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
InChIInChI=1S/C26H35N5O/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/h8-12,15-16,19,30,32H,13-14H2,1-7H3
InChIKeyXJMXYHSLTQIUAX-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.27
Rot. Bonds4

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

6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol (PubChem CID 136607534) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol.

Molecular Properties

Compound Name6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol
PubChem CID136607534
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name6-[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
InChIInChI=1S/C26H35N5O/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/h8-12,15-16,19,30,32H,13-14H2,1-7H3
InChIKeyXJMXYHSLTQIUAX-UHFFFAOYSA-N
XLogP5.27
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol?
The IUPAC name of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol (CID 136607534) is 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 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol?
The canonical SMILES for 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.
What is the InChIKey of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol?
The InChIKey is XJMXYHSLTQIUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O/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/h8-12,15-16,19,30,32H,13-14H2,1-7H3.
What are the key properties of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-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 433.60 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 136607534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).