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

C24H32ClN5O2 — CID 129219439

IUPAC7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride
SMILESCN(c1ccc(-c2cc3ccc(=O)[nH]c3cc2CO)nn1)C1CC(C)(C)NC(C)(C)C1.Cl
InChIInChI=1S/C24H31N5O2.ClH/c1-23(2)12-17(13-24(3,4)28-23)29(5)21-8-7-19(26-27-21)18-10-15-6-9-22(31)25-20(15)11-16(18)14-30;/h6-11,17,28,30H,12-14H2,1-5H3,(H,25,31);1H
InChIKeyCCXDMKGBEJIQQZ-UHFFFAOYSA-N
MW458.01 g/mol
LogP3.64
Rot. Bonds4

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

7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride (PubChem CID 129219439) has the molecular formula C24H32ClN5O2 and a molecular weight of 458.01 g/mol. Its IUPAC name is 7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride
PubChem CID129219439
Molecular FormulaC24H32ClN5O2
Molecular Weight458.01 g/mol
Exact Mass457.22
IUPAC Name7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride
SMILESCN(c1ccc(-c2cc3ccc(=O)[nH]c3cc2CO)nn1)C1CC(C)(C)NC(C)(C)C1.Cl
InChIInChI=1S/C24H31N5O2.ClH/c1-23(2)12-17(13-24(3,4)28-23)29(5)21-8-7-19(26-27-21)18-10-15-6-9-22(31)25-20(15)11-16(18)14-30;/h6-11,17,28,30H,12-14H2,1-5H3,(H,25,31);1H
InChIKeyCCXDMKGBEJIQQZ-UHFFFAOYSA-N
XLogP3.64
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.01
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride (CID 129219439) is 7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride is CN(c1ccc(-c2cc3ccc(=O)[nH]c3cc2CO)nn1)C1CC(C)(C)NC(C)(C)C1.Cl.
What is the InChIKey of 7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride?
The InChIKey is CCXDMKGBEJIQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2.ClH/c1-23(2)12-17(13-24(3,4)28-23)29(5)21-8-7-19(26-27-21)18-10-15-6-9-22(31)25-20(15)11-16(18)14-30;/h6-11,17,28,30H,12-14H2,1-5H3,(H,25,31);1H.
What are the key properties of 7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride?
7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride has a molecular weight of 458.01 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 129219439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).