4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

C27H36N6O — CID 136607547

IUPAC4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCc1cc(N2CCC2)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C27H36N6O/c1-17-12-23(33-10-7-11-33)19-13-20(24(34)14-22(19)28-17)21-8-9-25(30-29-21)32(6)18-15-26(2,3)31-27(4,5)16-18/h8-9,12-14,18,31,34H,7,10-11,15-16H2,1-6H3
InChIKeyZKCBHTOTVWEVDK-UHFFFAOYSA-N
MW460.63 g/mol
LogP4.66
Rot. Bonds4

About 4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 136607547) has the molecular formula C27H36N6O and a molecular weight of 460.63 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
PubChem CID136607547
Molecular FormulaC27H36N6O
Molecular Weight460.63 g/mol
Exact Mass460.30
IUPAC Name4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCc1cc(N2CCC2)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C27H36N6O/c1-17-12-23(33-10-7-11-33)19-13-20(24(34)14-22(19)28-17)21-8-9-25(30-29-21)32(6)18-15-26(2,3)31-27(4,5)16-18/h8-9,12-14,18,31,34H,7,10-11,15-16H2,1-6H3
InChIKeyZKCBHTOTVWEVDK-UHFFFAOYSA-N
XLogP4.66
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-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 4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (CID 136607547) is 4-(azetidin-1-yl)-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-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is Cc1cc(N2CCC2)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1.
What is the InChIKey of 4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is ZKCBHTOTVWEVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O/c1-17-12-23(33-10-7-11-33)19-13-20(24(34)14-22(19)28-17)21-8-9-25(30-29-21)32(6)18-15-26(2,3)31-27(4,5)16-18/h8-9,12-14,18,31,34H,7,10-11,15-16H2,1-6H3.
What are the key properties of 4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 460.63 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 136607547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).