2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol

C47H62N10O2 — CID 161262710

IUPAC2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol
SMILESCN(c1ccc(C2(O)C=Cc3ncccc3C2)nn1)C1CC(C)(C)NC(C)(C)C1.Cc1ccc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2n1
InChIInChI=1S/C24H31N5O.C23H31N5O/c1-15-7-8-16-11-21(30)18(12-20(16)25-15)19-9-10-22(27-26-19)29(6)17-13-23(2,3)28-24(4,5)14-17;1-21(2)14-17(15-22(3,4)27-21)28(5)20-9-8-19(25-26-20)23(29)11-10-18-16(13-23)7-6-12-24-18/h7-12,17,28,30H,13-14H2,1-6H3;6-12,17,27,29H,13-15H2,1-5H3
InChIKeyVCTQEGPYBZGPRF-UHFFFAOYSA-N
MW799.08 g/mol
LogP7.53
Rot. Bonds6

About 2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol

2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol (PubChem CID 161262710) has the molecular formula C47H62N10O2 and a molecular weight of 799.08 g/mol. Its IUPAC name is 2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol.

Molecular Properties

Compound Name2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol
PubChem CID161262710
Molecular FormulaC47H62N10O2
Molecular Weight799.08 g/mol
Exact Mass798.51
IUPAC Name2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol
SMILESCN(c1ccc(C2(O)C=Cc3ncccc3C2)nn1)C1CC(C)(C)NC(C)(C)C1.Cc1ccc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2n1
InChIInChI=1S/C24H31N5O.C23H31N5O/c1-15-7-8-16-11-21(30)18(12-20(16)25-15)19-9-10-22(27-26-19)29(6)17-13-23(2,3)28-24(4,5)14-17;1-21(2)14-17(15-22(3,4)27-21)28(5)20-9-8-19(25-26-20)23(29)11-10-18-16(13-23)7-6-12-24-18/h7-12,17,28,30H,13-14H2,1-6H3;6-12,17,27,29H,13-15H2,1-5H3
InChIKeyVCTQEGPYBZGPRF-UHFFFAOYSA-N
XLogP7.53
TPSA148.34 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500799.08
LogP ≤ 57.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol?
The IUPAC name of 2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol (CID 161262710) is 2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol.
What is the SMILES notation for 2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol?
The canonical SMILES for 2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol is CN(c1ccc(C2(O)C=Cc3ncccc3C2)nn1)C1CC(C)(C)NC(C)(C)C1.Cc1ccc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2n1.
What is the InChIKey of 2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol?
The InChIKey is VCTQEGPYBZGPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O.C23H31N5O/c1-15-7-8-16-11-21(30)18(12-20(16)25-15)19-9-10-22(27-26-19)29(6)17-13-23(2,3)28-24(4,5)14-17;1-21(2)14-17(15-22(3,4)27-21)28(5)20-9-8-19(25-26-20)23(29)11-10-18-16(13-23)7-6-12-24-18/h7-12,17,28,30H,13-14H2,1-6H3;6-12,17,27,29H,13-15H2,1-5H3.
What are the key properties of 2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol?
2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol has a molecular weight of 799.08 g/mol, XLogP of 7.53, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5H-quinolin-6-ol is sourced from PubChem (CID 161262710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).