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

C26H35N5O2 — CID 136607509

IUPAC4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCCOc1cc(C)nc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc12
InChIInChI=1S/C26H35N5O2/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/h9-13,17,30,32H,8,14-15H2,1-7H3
InChIKeyDDLLOLGACFZYDU-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.85
Rot. Bonds5

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

4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 136607509) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 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.

Molecular Properties

Compound Name4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
PubChem CID136607509
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCCOc1cc(C)nc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc12
InChIInChI=1S/C26H35N5O2/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/h9-13,17,30,32H,8,14-15H2,1-7H3
InChIKeyDDLLOLGACFZYDU-UHFFFAOYSA-N
XLogP4.85
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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?
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 (CID 136607509) is 4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.
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?
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 is CCOc1cc(C)nc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc12.
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?
The InChIKey is DDLLOLGACFZYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/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/h9-13,17,30,32H,8,14-15H2,1-7H3.
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?
4-ethoxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 449.60 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 136607509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).