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

C22H28N6O2 — CID 136933111

IUPAC7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one
SMILESCN(c1ccc(-c2cc3c(=O)[nH]cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H28N6O2/c1-21(2)10-13(11-22(3,4)27-21)28(5)19-7-6-16(25-26-19)14-8-15-17(9-18(14)29)23-12-24-20(15)30/h6-9,12-13,27,29H,10-11H2,1-5H3,(H,23,24,30)
InChIKeyAXDQJGREOXEECG-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.83
Rot. Bonds3

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

7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one (PubChem CID 136933111) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one
PubChem CID136933111
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one
SMILESCN(c1ccc(-c2cc3c(=O)[nH]cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H28N6O2/c1-21(2)10-13(11-22(3,4)27-21)28(5)19-7-6-16(25-26-19)14-8-15-17(9-18(14)29)23-12-24-20(15)30/h6-9,12-13,27,29H,10-11H2,1-5H3,(H,23,24,30)
InChIKeyAXDQJGREOXEECG-UHFFFAOYSA-N
XLogP2.83
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

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CID 166586457
CID 166586457
CID 166586478
CID 166586478
CID 166586483
CID 166586483
CID 166586501
CID 166586501
CID 166586567
CID 166586567
CID 166586632
CID 166586632
CID 166586674
CID 166586674
CID 166586702
CID 166586702
CID 166586738
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CID 166586779
CID 166586779

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one?
The IUPAC name of 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one (CID 136933111) is 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one?
The canonical SMILES for 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one is CN(c1ccc(-c2cc3c(=O)[nH]cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one?
The InChIKey is AXDQJGREOXEECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-21(2)10-13(11-22(3,4)27-21)28(5)19-7-6-16(25-26-19)14-8-15-17(9-18(14)29)23-12-24-20(15)30/h6-9,12-13,27,29H,10-11H2,1-5H3,(H,23,24,30).
What are the key properties of 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one?
7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one has a molecular weight of 408.51 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136933111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).