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

C23H28ClN5O — CID 136607563

IUPAC3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCN(c1ccc(-c2cc3ncc(Cl)cc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H28ClN5O/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-7-6-18(26-27-21)17-10-19-14(9-20(17)30)8-15(24)13-25-19/h6-10,13,16,28,30H,11-12H2,1-5H3
InChIKeyLAISJLNYBTWODC-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.80
Rot. Bonds3

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

3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (PubChem CID 136607563) has the molecular formula C23H28ClN5O and a molecular weight of 425.96 g/mol. Its IUPAC name is 3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.

Molecular Properties

Compound Name3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
PubChem CID136607563
Molecular FormulaC23H28ClN5O
Molecular Weight425.96 g/mol
Exact Mass425.20
IUPAC Name3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCN(c1ccc(-c2cc3ncc(Cl)cc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H28ClN5O/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-7-6-18(26-27-21)17-10-19-14(9-20(17)30)8-15(24)13-25-19/h6-10,13,16,28,30H,11-12H2,1-5H3
InChIKeyLAISJLNYBTWODC-UHFFFAOYSA-N
XLogP4.80
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The IUPAC name of 3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (CID 136607563) is 3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.
What is the SMILES notation for 3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The canonical SMILES for 3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is CN(c1ccc(-c2cc3ncc(Cl)cc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The InChIKey is LAISJLNYBTWODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-7-6-18(26-27-21)17-10-19-14(9-20(17)30)8-15(24)13-25-19/h6-10,13,16,28,30H,11-12H2,1-5H3.
What are the key properties of 3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol has a molecular weight of 425.96 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is sourced from PubChem (CID 136607563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).