6-(7-methoxy-2-methylquinazolin-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

C46H60N12O2 — CID 136954658

IUPAC6-(7-methoxy-2-methylquinazolin-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.COc1cc2nc(C)ncc2cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C24H32N6O.C22H28N6O/c1-15-25-14-16-10-18(21(31-7)11-20(16)26-15)19-8-9-22(28-27-19)30(6)17-12-23(2,3)29-24(4,5)13-17;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/h8-11,14,17,29H,12-13H2,1-7H3;6-9,12-13,15,27,29H,10-11H2,1-5H3
InChIKeyXBKBDFLZCGODDQ-UHFFFAOYSA-N
MW813.07 g/mol
LogP7.69
Rot. Bonds7

About 6-(7-methoxy-2-methylquinazolin-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-methoxy-2-methylquinazolin-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 136954658) has the molecular formula C46H60N12O2 and a molecular weight of 813.07 g/mol. Its IUPAC name is 6-(7-methoxy-2-methylquinazolin-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-methoxy-2-methylquinazolin-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 CID136954658
Molecular FormulaC46H60N12O2
Molecular Weight813.07 g/mol
Exact Mass812.50
IUPAC Name6-(7-methoxy-2-methylquinazolin-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.COc1cc2nc(C)ncc2cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C24H32N6O.C22H28N6O/c1-15-25-14-16-10-18(21(31-7)11-20(16)26-15)19-8-9-22(28-27-19)30(6)17-12-23(2,3)29-24(4,5)13-17;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/h8-11,14,17,29H,12-13H2,1-7H3;6-9,12-13,15,27,29H,10-11H2,1-5H3
InChIKeyXBKBDFLZCGODDQ-UHFFFAOYSA-N
XLogP7.69
TPSA163.12 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500813.07
LogP ≤ 57.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 6-(7-methoxy-2-methylquinazolin-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

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Frequently Asked Questions

What is the IUPAC name of 6-(7-methoxy-2-methylquinazolin-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-methoxy-2-methylquinazolin-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 136954658) is 6-(7-methoxy-2-methylquinazolin-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-methoxy-2-methylquinazolin-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-methoxy-2-methylquinazolin-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.COc1cc2nc(C)ncc2cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 6-(7-methoxy-2-methylquinazolin-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 XBKBDFLZCGODDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O.C22H28N6O/c1-15-25-14-16-10-18(21(31-7)11-20(16)26-15)19-8-9-22(28-27-19)30(6)17-12-23(2,3)29-24(4,5)13-17;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/h8-11,14,17,29H,12-13H2,1-7H3;6-9,12-13,15,27,29H,10-11H2,1-5H3.
What are the key properties of 6-(7-methoxy-2-methylquinazolin-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-methoxy-2-methylquinazolin-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 813.07 g/mol, XLogP of 7.69, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methoxy-2-methylquinazolin-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 136954658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).