6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

C44H52N10O2 — CID 159639691

IUPAC6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)N(C)C(C)(C)C1.CN1C[C@@H]2CN(c3ccc(-c4cc5cccnc5cc4O)nn3)C[C@@H]2C1
InChIInChI=1S/C24H31N5O.C20H21N5O/c1-23(2)14-17(15-24(3,4)29(23)6)28(5)22-10-9-19(26-27-22)18-12-16-8-7-11-25-20(16)13-21(18)30;1-24-9-14-11-25(12-15(14)10-24)20-5-4-17(22-23-20)16-7-13-3-2-6-21-18(13)8-19(16)26/h7-13,17,30H,14-15H2,1-6H3;2-8,14-15,26H,9-12H2,1H3/t;14-,15+
InChIKeyMQEQPOOICHPPCP-MBPOSHFVSA-N
MW752.97 g/mol
LogP6.88
Rot. Bonds5

About 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 159639691) has the molecular formula C44H52N10O2 and a molecular weight of 752.97 g/mol. Its IUPAC name is 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
PubChem CID159639691
Molecular FormulaC44H52N10O2
Molecular Weight752.97 g/mol
Exact Mass752.43
IUPAC Name6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)N(C)C(C)(C)C1.CN1C[C@@H]2CN(c3ccc(-c4cc5cccnc5cc4O)nn3)C[C@@H]2C1
InChIInChI=1S/C24H31N5O.C20H21N5O/c1-23(2)14-17(15-24(3,4)29(23)6)28(5)22-10-9-19(26-27-22)18-12-16-8-7-11-25-20(16)13-21(18)30;1-24-9-14-11-25(12-15(14)10-24)20-5-4-17(22-23-20)16-7-13-3-2-6-21-18(13)8-19(16)26/h7-13,17,30H,14-15H2,1-6H3;2-8,14-15,26H,9-12H2,1H3/t;14-,15+
InChIKeyMQEQPOOICHPPCP-MBPOSHFVSA-N
XLogP6.88
TPSA130.76 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500752.97
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (CID 159639691) is 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.
What is the SMILES notation for 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is CN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)N(C)C(C)(C)C1.CN1C[C@@H]2CN(c3ccc(-c4cc5cccnc5cc4O)nn3)C[C@@H]2C1.
What is the InChIKey of 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is MQEQPOOICHPPCP-MBPOSHFVSA-N. The full InChI is InChI=1S/C24H31N5O.C20H21N5O/c1-23(2)14-17(15-24(3,4)29(23)6)28(5)22-10-9-19(26-27-22)18-12-16-8-7-11-25-20(16)13-21(18)30;1-24-9-14-11-25(12-15(14)10-24)20-5-4-17(22-23-20)16-7-13-3-2-6-21-18(13)8-19(16)26/h7-13,17,30H,14-15H2,1-6H3;2-8,14-15,26H,9-12H2,1H3/t;14-,15+.
What are the key properties of 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 752.97 g/mol, XLogP of 6.88, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]quinolin-7-ol;6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 159639691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).