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

C45H58N12O2 — CID 136933117

IUPAC6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[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.COc1cc2ncncc2cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C23H30N6O.C22H28N6O/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-8-7-18(26-27-21)17-9-15-13-24-14-25-19(15)10-20(17)30-6;1-21(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/h7-10,13-14,16,28H,11-12H2,1-6H3;6-9,12-13,15,27,29H,10-11H2,1-5H3
InChIKeyBMUBNINUTRWMGJ-UHFFFAOYSA-N
MW799.04 g/mol
LogP7.38
Rot. Bonds7

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

6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol (PubChem CID 136933117) has the molecular formula C45H58N12O2 and a molecular weight of 799.04 g/mol. Its IUPAC name is 6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol.

Molecular Properties

Compound Name6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol
PubChem CID136933117
Molecular FormulaC45H58N12O2
Molecular Weight799.04 g/mol
Exact Mass798.48
IUPAC Name6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[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.COc1cc2ncncc2cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C23H30N6O.C22H28N6O/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-8-7-18(26-27-21)17-9-15-13-24-14-25-19(15)10-20(17)30-6;1-21(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/h7-10,13-14,16,28H,11-12H2,1-6H3;6-9,12-13,15,27,29H,10-11H2,1-5H3
InChIKeyBMUBNINUTRWMGJ-UHFFFAOYSA-N
XLogP7.38
TPSA163.12 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500799.04
LogP ≤ 57.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol?
The IUPAC name of 6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol (CID 136933117) is 6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol.
What is the SMILES notation for 6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol?
The canonical SMILES for 6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;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.COc1cc2ncncc2cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol?
The InChIKey is BMUBNINUTRWMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O.C22H28N6O/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-8-7-18(26-27-21)17-9-15-13-24-14-25-19(15)10-20(17)30-6;1-21(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/h7-10,13-14,16,28H,11-12H2,1-6H3;6-9,12-13,15,27,29H,10-11H2,1-5H3.
What are the key properties of 6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol?
6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol has a molecular weight of 799.04 g/mol, XLogP of 7.38, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methoxyquinazolin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol is sourced from PubChem (CID 136933117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).