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

C47H62N12O3 — CID 159947226

IUPAC4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one
SMILESCN(C)c1ccnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc12.CN(c1ccc(-c2cc3c(=O)[nH]cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H34N6O.C22H28N6O2/c1-24(2)14-16(15-25(3,4)29-24)31(7)23-9-8-19(27-28-23)18-12-17-20(13-22(18)32)26-11-10-21(17)30(5)6;1-21(2)10-13(11-22(3,4)27-21)28(5)19-7-6-16(25-26-19)14-8-15-17(9-18(14)29)23-12-24-20(15)30/h8-13,16,29,32H,14-15H2,1-7H3;6-9,12-13,27,29H,10-11H2,1-5H3,(H,23,24,30)
InChIKeyOBQJMTPUDIPJAH-UHFFFAOYSA-N
MW843.09 g/mol
LogP7.04
Rot. Bonds7

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

4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one (PubChem CID 159947226) has the molecular formula C47H62N12O3 and a molecular weight of 843.09 g/mol. Its IUPAC name is 4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one
PubChem CID159947226
Molecular FormulaC47H62N12O3
Molecular Weight843.09 g/mol
Exact Mass842.51
IUPAC Name4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one
SMILESCN(C)c1ccnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc12.CN(c1ccc(-c2cc3c(=O)[nH]cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H34N6O.C22H28N6O2/c1-24(2)14-16(15-25(3,4)29-24)31(7)23-9-8-19(27-28-23)18-12-17-20(13-22(18)32)26-11-10-21(17)30(5)6;1-21(2)10-13(11-22(3,4)27-21)28(5)19-7-6-16(25-26-19)14-8-15-17(9-18(14)29)23-12-24-20(15)30/h8-13,16,29,32H,14-15H2,1-7H3;6-9,12-13,27,29H,10-11H2,1-5H3,(H,23,24,30)
InChIKeyOBQJMTPUDIPJAH-UHFFFAOYSA-N
XLogP7.04
TPSA184.44 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.09
LogP ≤ 57.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

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

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Related Compounds

6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-7-hydroxy-N-methylquinoline-2-carboxamide
CID 154598923
6-[6-[[(1S,5R)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-3-fluoro-7-hydroxy-N-methylquinoline-2-carboxamide
CID 155407676
7-(7-Fluoro-6-hydroxy-2-methylindazol-5-yl)-3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one
CID 168227947
4-(Dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 136607576
7-Hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide
CID 136639493
7-hydroxy-6-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)quinazolin-4(1H)-one
CID 136933111
7-hydroxy-6-[6-[[(1S,5R)-9-hydroxy-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-N-methylquinoline-2-carboxamide
CID 155407392
7-Hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide
CID 155649845
6-Hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide
CID 157064089
7-Hydroxy-1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3,4-dihydroquinolin-2-one;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinoline-1-carbonitrile;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalene-1-carboxamide;2-isocyano-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;2-isocyano-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinazolin-7-ol
CID 157156235
4-cyclopropyl-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one;2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(oxan-4-yl)quinolin-7-ol;2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(oxetan-3-yl)quinolin-7-ol
CID 158314800
2-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 158819749

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one?
The IUPAC name of 4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one (CID 159947226) is 4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one?
The canonical SMILES for 4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one is CN(C)c1ccnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc12.CN(c1ccc(-c2cc3c(=O)[nH]cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one?
The InChIKey is OBQJMTPUDIPJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O.C22H28N6O2/c1-24(2)14-16(15-25(3,4)29-24)31(7)23-9-8-19(27-28-23)18-12-17-20(13-22(18)32)26-11-10-21(17)30(5)6;1-21(2)10-13(11-22(3,4)27-21)28(5)19-7-6-16(25-26-19)14-8-15-17(9-18(14)29)23-12-24-20(15)30/h8-13,16,29,32H,14-15H2,1-7H3;6-9,12-13,27,29H,10-11H2,1-5H3,(H,23,24,30).
What are the key properties of 4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one?
4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one has a molecular weight of 843.09 g/mol, XLogP of 7.04, 7 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 159947226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).