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

C23H29Cl2N5O — CID 136933118

IUPAC3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride
SMILESCN(c1ccc(-c2cc3cc(Cl)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cl
InChIInChI=1S/C23H28ClN5O.ClH/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-7-6-18(26-27-21)17-9-14-8-15(24)13-25-19(14)10-20(17)30;/h6-10,13,16,28,30H,11-12H2,1-5H3;1H
InChIKeyKGVDYVAHQRDWHA-UHFFFAOYSA-N
MW462.43 g/mol
LogP5.22
Rot. Bonds3

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

3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride (PubChem CID 136933118) has the molecular formula C23H29Cl2N5O and a molecular weight of 462.43 g/mol. Its IUPAC name is 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride.

Molecular Properties

Compound Name3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride
PubChem CID136933118
Molecular FormulaC23H29Cl2N5O
Molecular Weight462.43 g/mol
Exact Mass461.17
IUPAC Name3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride
SMILESCN(c1ccc(-c2cc3cc(Cl)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cl
InChIInChI=1S/C23H28ClN5O.ClH/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-7-6-18(26-27-21)17-9-14-8-15(24)13-25-19(14)10-20(17)30;/h6-10,13,16,28,30H,11-12H2,1-5H3;1H
InChIKeyKGVDYVAHQRDWHA-UHFFFAOYSA-N
XLogP5.22
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.43
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride?
The IUPAC name of 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride (CID 136933118) is 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride.
What is the SMILES notation for 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride?
The canonical SMILES for 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride is CN(c1ccc(-c2cc3cc(Cl)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cl.
What is the InChIKey of 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride?
The InChIKey is KGVDYVAHQRDWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O.ClH/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-7-6-18(26-27-21)17-9-14-8-15(24)13-25-19(14)10-20(17)30;/h6-10,13,16,28,30H,11-12H2,1-5H3;1H.
What are the key properties of 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride?
3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride has a molecular weight of 462.43 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;hydrochloride is sourced from PubChem (CID 136933118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).