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

C24H31N5O2 — CID 136954655

IUPAC4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCOc1ccnc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc12
InChIInChI=1S/C24H31N5O2/c1-23(2)13-15(14-24(3,4)28-23)29(5)22-8-7-18(26-27-22)16-11-19-17(12-20(16)30)21(31-6)9-10-25-19/h7-12,15,28,30H,13-14H2,1-6H3
InChIKeyQNEJTXPPSFZQLB-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.15
Rot. Bonds4

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

4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (PubChem CID 136954655) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.

Molecular Properties

Compound Name4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
PubChem CID136954655
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCOc1ccnc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc12
InChIInChI=1S/C24H31N5O2/c1-23(2)13-15(14-24(3,4)28-23)29(5)22-8-7-18(26-27-22)16-11-19-17(12-20(16)30)21(31-6)9-10-25-19/h7-12,15,28,30H,13-14H2,1-6H3
InChIKeyQNEJTXPPSFZQLB-UHFFFAOYSA-N
XLogP4.15
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The IUPAC name of 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (CID 136954655) is 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.
What is the SMILES notation for 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The canonical SMILES for 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is COc1ccnc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc12.
What is the InChIKey of 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The InChIKey is QNEJTXPPSFZQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-23(2)13-15(14-24(3,4)28-23)29(5)22-8-7-18(26-27-22)16-11-19-17(12-20(16)30)21(31-6)9-10-25-19/h7-12,15,28,30H,13-14H2,1-6H3.
What are the key properties of 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol has a molecular weight of 421.55 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is sourced from PubChem (CID 136954655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).