2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline

C26H36N2 — CID 59931545

IUPAC2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline
SMILESCC1=CC(C)(C)N(CCN2c3ccccc3C(C)=CC2(C)C)C2=C1CCCC2
InChIInChI=1S/C26H36N2/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/h7,9,11,13,17-18H,8,10,12,14-16H2,1-6H3
InChIKeyUTAOALXNBNSHFY-UHFFFAOYSA-N
MW376.59 g/mol
LogP6.56
Rot. Bonds3

About 2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline

2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline (PubChem CID 59931545) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline
PubChem CID59931545
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline
SMILESCC1=CC(C)(C)N(CCN2c3ccccc3C(C)=CC2(C)C)C2=C1CCCC2
InChIInChI=1S/C26H36N2/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/h7,9,11,13,17-18H,8,10,12,14-16H2,1-6H3
InChIKeyUTAOALXNBNSHFY-UHFFFAOYSA-N
XLogP6.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 56.56
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-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline?
The IUPAC name of 2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline (CID 59931545) is 2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline.
What is the SMILES notation for 2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline?
The canonical SMILES for 2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline is CC1=CC(C)(C)N(CCN2c3ccccc3C(C)=CC2(C)C)C2=C1CCCC2.
What is the InChIKey of 2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline?
The InChIKey is UTAOALXNBNSHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/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/h7,9,11,13,17-18H,8,10,12,14-16H2,1-6H3.
What are the key properties of 2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline?
2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline has a molecular weight of 376.59 g/mol, XLogP of 6.56, 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-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline is sourced from PubChem (CID 59931545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).