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

C22H28N6O — CID 136607577

IUPAC6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol
SMILESCN(c1ccc(-c2cc3cncnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H28N6O/c1-21(2)10-15(11-22(3,4)27-21)28(5)20-7-6-17(25-26-20)16-8-14-12-23-13-24-18(14)9-19(16)29/h6-9,12-13,15,27,29H,10-11H2,1-5H3
InChIKeyBMGVHYDWFZRANN-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.54
Rot. Bonds3

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

6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol (PubChem CID 136607577) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol.

Molecular Properties

Compound Name6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol
PubChem CID136607577
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol
SMILESCN(c1ccc(-c2cc3cncnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H28N6O/c1-21(2)10-15(11-22(3,4)27-21)28(5)20-7-6-17(25-26-20)16-8-14-12-23-13-24-18(14)9-19(16)29/h6-9,12-13,15,27,29H,10-11H2,1-5H3
InChIKeyBMGVHYDWFZRANN-UHFFFAOYSA-N
XLogP3.54
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol with MolForge

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Related Compounds

2-Aminoquinazoline 27
CID 135399743
2-Aminoquinazoline 26
CID 135402987
2-Aminoquinazoline 24
CID 135402985
2-methyl-4-[(E)-{(2E)-[2-(pyridin-3-yl)quinazolin-4(3H)-ylidene]hydrazinylidene}methyl]benzene-1,3-diol
CID 135651038
2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)-5-(1H-pyrazol-1-yl)phenol
CID 136253041
6-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 136607508
7-(6-(Methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)isoquinolin-6-ol
CID 136607554
3-[[6-(4-Hydroxyphenyl)quinazolin-4-yl]amino]phenol
CID 71610585
3-[[6-[4-(Dimethylamino)phenyl]quinazolin-4-yl]amino]phenol
CID 71610588
3-[(2-Pyridin-4-ylquinazolin-4-yl)amino]phenol
CID 137639122
US10730882, Example 35
CID 135281149
4-[6-(4-Piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-ol
CID 136662815

Frequently Asked Questions

What is the IUPAC name of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol?
The IUPAC name of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol (CID 136607577) is 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol.
What is the SMILES notation for 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol?
The canonical SMILES for 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol is CN(c1ccc(-c2cc3cncnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol?
The InChIKey is BMGVHYDWFZRANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-21(2)10-15(11-22(3,4)27-21)28(5)20-7-6-17(25-26-20)16-8-14-12-23-13-24-18(14)9-19(16)29/h6-9,12-13,15,27,29H,10-11H2,1-5H3.
What are the key properties of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol?
6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol has a molecular weight of 392.51 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol is sourced from PubChem (CID 136607577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).