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

C26H36N6O — CID 136607550

IUPAC4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCc1cc(N(C)C)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C26H36N6O/c1-16-11-22(31(6)7)18-12-19(23(33)13-21(18)27-16)20-9-10-24(29-28-20)32(8)17-14-25(2,3)30-26(4,5)15-17/h9-13,17,30,33H,14-15H2,1-8H3
InChIKeyVETATRCRXDLNCU-UHFFFAOYSA-N
MW448.62 g/mol
LogP4.52
Rot. Bonds4

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

4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 136607550) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
PubChem CID136607550
Molecular FormulaC26H36N6O
Molecular Weight448.62 g/mol
Exact Mass448.30
IUPAC Name4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCc1cc(N(C)C)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C26H36N6O/c1-16-11-22(31(6)7)18-12-19(23(33)13-21(18)27-16)20-9-10-24(29-28-20)32(8)17-14-25(2,3)30-26(4,5)15-17/h9-13,17,30,33H,14-15H2,1-8H3
InChIKeyVETATRCRXDLNCU-UHFFFAOYSA-N
XLogP4.52
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (CID 136607550) is 4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.
What is the SMILES notation for 4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is Cc1cc(N(C)C)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1.
What is the InChIKey of 4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is VETATRCRXDLNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O/c1-16-11-22(31(6)7)18-12-19(23(33)13-21(18)27-16)20-9-10-24(29-28-20)32(8)17-14-25(2,3)30-26(4,5)15-17/h9-13,17,30,33H,14-15H2,1-8H3.
What are the key properties of 4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 448.62 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 136607550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).