6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid

C24H29N5O3 — CID 141443165

IUPAC6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid
SMILESCN(c1ccc(-c2cc3nc(C(=O)O)ccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H29N5O3/c1-23(2)12-15(13-24(3,4)28-23)29(5)21-9-8-17(26-27-21)16-11-19-14(10-20(16)30)6-7-18(25-19)22(31)32/h6-11,15,28,30H,12-13H2,1-5H3,(H,31,32)
InChIKeyKOJMJPKLBJFXNH-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.84
Rot. Bonds4

About 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid

6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid (PubChem CID 141443165) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid
PubChem CID141443165
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid
SMILESCN(c1ccc(-c2cc3nc(C(=O)O)ccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H29N5O3/c1-23(2)12-15(13-24(3,4)28-23)29(5)21-9-8-17(26-27-21)16-11-19-14(10-20(16)30)6-7-18(25-19)22(31)32/h6-11,15,28,30H,12-13H2,1-5H3,(H,31,32)
InChIKeyKOJMJPKLBJFXNH-UHFFFAOYSA-N
XLogP3.84
TPSA111.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid?
The IUPAC name of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid (CID 141443165) is 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid is CN(c1ccc(-c2cc3nc(C(=O)O)ccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid?
The InChIKey is KOJMJPKLBJFXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-23(2)12-15(13-24(3,4)28-23)29(5)21-9-8-17(26-27-21)16-11-19-14(10-20(16)30)6-7-18(25-19)22(31)32/h6-11,15,28,30H,12-13H2,1-5H3,(H,31,32).
What are the key properties of 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid?
6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid has a molecular weight of 435.53 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid is sourced from PubChem (CID 141443165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).