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

C47H60N10O2 — CID 136954651

IUPAC6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCN(c1ccc(-c2cc3ncccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1cc2cccnc2cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C24H31N5O.C23H29N5O/c1-23(2)14-17(15-24(3,4)28-23)29(5)22-10-9-19(26-27-22)18-13-20-16(8-7-11-25-20)12-21(18)30-6;1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-12-19-15(11-20(17)29)7-6-10-24-19/h7-13,17,28H,14-15H2,1-6H3;6-12,16,27,29H,13-14H2,1-5H3
InChIKeyKGEWZQJSINIPRD-UHFFFAOYSA-N
MW797.07 g/mol
LogP8.59
Rot. Bonds7

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

6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (PubChem CID 136954651) has the molecular formula C47H60N10O2 and a molecular weight of 797.07 g/mol. Its IUPAC name is 6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.

Molecular Properties

Compound Name6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
PubChem CID136954651
Molecular FormulaC47H60N10O2
Molecular Weight797.07 g/mol
Exact Mass796.49
IUPAC Name6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCN(c1ccc(-c2cc3ncccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1cc2cccnc2cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C24H31N5O.C23H29N5O/c1-23(2)14-17(15-24(3,4)28-23)29(5)22-10-9-19(26-27-22)18-13-20-16(8-7-11-25-20)12-21(18)30-6;1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-12-19-15(11-20(17)29)7-6-10-24-19/h7-13,17,28H,14-15H2,1-6H3;6-12,16,27,29H,13-14H2,1-5H3
InChIKeyKGEWZQJSINIPRD-UHFFFAOYSA-N
XLogP8.59
TPSA137.34 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500797.07
LogP ≤ 58.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The IUPAC name of 6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (CID 136954651) is 6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.
What is the SMILES notation for 6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The canonical SMILES for 6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is CN(c1ccc(-c2cc3ncccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.COc1cc2cccnc2cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The InChIKey is KGEWZQJSINIPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O.C23H29N5O/c1-23(2)14-17(15-24(3,4)28-23)29(5)22-10-9-19(26-27-22)18-13-20-16(8-7-11-25-20)12-21(18)30-6;1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-12-19-15(11-20(17)29)7-6-10-24-19/h7-13,17,28H,14-15H2,1-6H3;6-12,16,27,29H,13-14H2,1-5H3.
What are the key properties of 6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol has a molecular weight of 797.07 g/mol, XLogP of 8.59, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is sourced from PubChem (CID 136954651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).