2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline

C26H32N2 — CID 21265392

IUPAC2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline
SMILESCC1=CC(C)(C)N(CCN2c3ccccc3C(C)=CC2(C)C)c2ccccc21
InChIInChI=1S/C26H32N2/c1-19-17-25(3,4)27(23-13-9-7-11-21(19)23)15-16-28-24-14-10-8-12-22(24)20(2)18-26(28,5)6/h7-14,17-18H,15-16H2,1-6H3
InChIKeyXKYRNPFJCFBOCP-UHFFFAOYSA-N
MW372.56 g/mol
LogP6.39
Rot. Bonds3

About 2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline

2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline (PubChem CID 21265392) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline
PubChem CID21265392
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline
SMILESCC1=CC(C)(C)N(CCN2c3ccccc3C(C)=CC2(C)C)c2ccccc21
InChIInChI=1S/C26H32N2/c1-19-17-25(3,4)27(23-13-9-7-11-21(19)23)15-16-28-24-14-10-8-12-22(24)20(2)18-26(28,5)6/h7-14,17-18H,15-16H2,1-6H3
InChIKeyXKYRNPFJCFBOCP-UHFFFAOYSA-N
XLogP6.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline?
The IUPAC name of 2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline (CID 21265392) is 2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline.
What is the SMILES notation for 2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline?
The canonical SMILES for 2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline is CC1=CC(C)(C)N(CCN2c3ccccc3C(C)=CC2(C)C)c2ccccc21.
What is the InChIKey of 2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline?
The InChIKey is XKYRNPFJCFBOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-19-17-25(3,4)27(23-13-9-7-11-21(19)23)15-16-28-24-14-10-8-12-22(24)20(2)18-26(28,5)6/h7-14,17-18H,15-16H2,1-6H3.
What are the key properties of 2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline?
2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline has a molecular weight of 372.56 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline is sourced from PubChem (CID 21265392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).