7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one

C23H29N5O2 — CID 136607531

IUPAC7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one
SMILESCN(c1ccc(-c2cc3ccc(=O)[nH]c3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H29N5O2/c1-22(2)12-15(13-23(3,4)27-22)28(5)20-8-7-17(25-26-20)16-10-14-6-9-21(30)24-18(14)11-19(16)29/h6-11,15,27,29H,12-13H2,1-5H3,(H,24,30)
InChIKeyXEFPZKYCESWBHF-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.44
Rot. Bonds3

About 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one

7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one (PubChem CID 136607531) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one
PubChem CID136607531
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one
SMILESCN(c1ccc(-c2cc3ccc(=O)[nH]c3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H29N5O2/c1-22(2)12-15(13-23(3,4)27-22)28(5)20-8-7-17(25-26-20)16-10-14-6-9-21(30)24-18(14)11-19(16)29/h6-11,15,27,29H,12-13H2,1-5H3,(H,24,30)
InChIKeyXEFPZKYCESWBHF-UHFFFAOYSA-N
XLogP3.44
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one?
The IUPAC name of 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one (CID 136607531) is 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one.
What is the SMILES notation for 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one?
The canonical SMILES for 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one is CN(c1ccc(-c2cc3ccc(=O)[nH]c3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one?
The InChIKey is XEFPZKYCESWBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-22(2)12-15(13-23(3,4)27-22)28(5)20-8-7-17(25-26-20)16-10-14-6-9-21(30)24-18(14)11-19(16)29/h6-11,15,27,29H,12-13H2,1-5H3,(H,24,30).
What are the key properties of 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one?
7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one has a molecular weight of 407.52 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one is sourced from PubChem (CID 136607531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).