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

C28H37N5O2 — CID 136954652

IUPAC6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol
SMILESCN(c1ccc(-c2cc3cc(C4CCCCO4)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H37N5O2/c1-27(2)15-20(16-28(3,4)32-27)33(5)26-10-9-22(30-31-26)21-13-18-12-19(25-8-6-7-11-35-25)17-29-23(18)14-24(21)34/h9-10,12-14,17,20,25,32,34H,6-8,11,15-16H2,1-5H3
InChIKeyWGRFAAMTHWFPMR-UHFFFAOYSA-N
MW475.64 g/mol
LogP5.38
Rot. Bonds4

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

6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol (PubChem CID 136954652) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol.

Molecular Properties

Compound Name6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol
PubChem CID136954652
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol
SMILESCN(c1ccc(-c2cc3cc(C4CCCCO4)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H37N5O2/c1-27(2)15-20(16-28(3,4)32-27)33(5)26-10-9-22(30-31-26)21-13-18-12-19(25-8-6-7-11-35-25)17-29-23(18)14-24(21)34/h9-10,12-14,17,20,25,32,34H,6-8,11,15-16H2,1-5H3
InChIKeyWGRFAAMTHWFPMR-UHFFFAOYSA-N
XLogP5.38
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol?
The IUPAC name of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol (CID 136954652) is 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol.
What is the SMILES notation for 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol?
The canonical SMILES for 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol is CN(c1ccc(-c2cc3cc(C4CCCCO4)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol?
The InChIKey is WGRFAAMTHWFPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-27(2)15-20(16-28(3,4)32-27)33(5)26-10-9-22(30-31-26)21-13-18-12-19(25-8-6-7-11-35-25)17-29-23(18)14-24(21)34/h9-10,12-14,17,20,25,32,34H,6-8,11,15-16H2,1-5H3.
What are the key properties of 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol?
6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol has a molecular weight of 475.64 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(oxan-2-yl)quinolin-7-ol is sourced from PubChem (CID 136954652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).