3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C53H63ClN10O2 — CID 161275755

IUPAC3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1ccc(-c2cc3cc(Cl)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc3cnc(OCc4ccccc4)cc3c2)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C30H35N5O.C23H28ClN5O/c1-29(2)17-25(18-30(3,4)34-29)35(5)27-14-13-26(32-33-27)22-11-12-23-19-31-28(16-24(23)15-22)36-20-21-9-7-6-8-10-21;1-22(2)11-16(12-23(3,4)28-22)29(5)21-7-6-18(26-27-21)17-9-14-8-15(24)13-25-19(14)10-20(17)30/h6-16,19,25,34H,17-18,20H2,1-5H3;6-10,13,16,28,30H,11-12H2,1-5H3
InChIKeyVEKOKFPPIPELPH-UHFFFAOYSA-N
MW907.61 g/mol
LogP10.81
Rot. Bonds9

About 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 161275755) has the molecular formula C53H63ClN10O2 and a molecular weight of 907.61 g/mol. Its IUPAC name is 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID161275755
Molecular FormulaC53H63ClN10O2
Molecular Weight907.61 g/mol
Exact Mass906.48
IUPAC Name3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCN(c1ccc(-c2cc3cc(Cl)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc3cnc(OCc4ccccc4)cc3c2)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C30H35N5O.C23H28ClN5O/c1-29(2)17-25(18-30(3,4)34-29)35(5)27-14-13-26(32-33-27)22-11-12-23-19-31-28(16-24(23)15-22)36-20-21-9-7-6-8-10-21;1-22(2)11-16(12-23(3,4)28-22)29(5)21-7-6-18(26-27-21)17-9-14-8-15(24)13-25-19(14)10-20(17)30/h6-16,19,25,34H,17-18,20H2,1-5H3;6-10,13,16,28,30H,11-12H2,1-5H3
InChIKeyVEKOKFPPIPELPH-UHFFFAOYSA-N
XLogP10.81
TPSA137.34 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500907.61
LogP ≤ 510.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 161275755) is 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is CN(c1ccc(-c2cc3cc(Cl)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2ccc3cnc(OCc4ccccc4)cc3c2)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is VEKOKFPPIPELPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O.C23H28ClN5O/c1-29(2)17-25(18-30(3,4)34-29)35(5)27-14-13-26(32-33-27)22-11-12-23-19-31-28(16-24(23)15-22)36-20-21-9-7-6-8-10-21;1-22(2)11-16(12-23(3,4)28-22)29(5)21-7-6-18(26-27-21)17-9-14-8-15(24)13-25-19(14)10-20(17)30/h6-16,19,25,34H,17-18,20H2,1-5H3;6-10,13,16,28,30H,11-12H2,1-5H3.
What are the key properties of 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 907.61 g/mol, XLogP of 10.81, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;N-methyl-6-(3-phenylmethoxyisoquinolin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 161275755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).