(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone

C25H32N6O2 — CID 86925657

IUPAC(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone
SMILESCCOc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C25H32N6O2/c1-5-33-19-6-7-21-20(14-19)17(2)15-25(3,4)31(21)24(32)18-10-12-29(13-11-18)23-9-8-22-27-26-16-30(22)28-23/h6-9,14,16-18H,5,10-13,15H2,1-4H3
InChIKeyIQQOEXVWJYOJMZ-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.06
Rot. Bonds4

About (6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone

(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone (PubChem CID 86925657) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is (6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone
PubChem CID86925657
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone
SMILESCCOc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C25H32N6O2/c1-5-33-19-6-7-21-20(14-19)17(2)15-25(3,4)31(21)24(32)18-10-12-29(13-11-18)23-9-8-22-27-26-16-30(22)28-23/h6-9,14,16-18H,5,10-13,15H2,1-4H3
InChIKeyIQQOEXVWJYOJMZ-UHFFFAOYSA-N
XLogP4.06
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone?
The IUPAC name of (6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone (CID 86925657) is (6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone?
The canonical SMILES for (6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone is CCOc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of (6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone?
The InChIKey is IQQOEXVWJYOJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-5-33-19-6-7-21-20(14-19)17(2)15-25(3,4)31(21)24(32)18-10-12-29(13-11-18)23-9-8-22-27-26-16-30(22)28-23/h6-9,14,16-18H,5,10-13,15H2,1-4H3.
What are the key properties of (6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone?
(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone has a molecular weight of 448.57 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 86925657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).