6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline

C26H28N2 — CID 131975391

IUPAC6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline
SMILESCC(C)(C)c1ccc2nc(CC(C)(C)c3cnc4ccccc4c3)ccc2c1
InChIInChI=1S/C26H28N2/c1-25(2,3)20-11-13-24-19(14-20)10-12-22(28-24)16-26(4,5)21-15-18-8-6-7-9-23(18)27-17-21/h6-15,17H,16H2,1-5H3
InChIKeyGAVVVEXUKQVAOB-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.60
Rot. Bonds3

About 6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline

6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline (PubChem CID 131975391) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline.

Molecular Properties

Compound Name6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline
PubChem CID131975391
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline
SMILESCC(C)(C)c1ccc2nc(CC(C)(C)c3cnc4ccccc4c3)ccc2c1
InChIInChI=1S/C26H28N2/c1-25(2,3)20-11-13-24-19(14-20)10-12-22(28-24)16-26(4,5)21-15-18-8-6-7-9-23(18)27-17-21/h6-15,17H,16H2,1-5H3
InChIKeyGAVVVEXUKQVAOB-UHFFFAOYSA-N
XLogP6.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline?
The IUPAC name of 6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline (CID 131975391) is 6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline.
What is the SMILES notation for 6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline?
The canonical SMILES for 6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline is CC(C)(C)c1ccc2nc(CC(C)(C)c3cnc4ccccc4c3)ccc2c1.
What is the InChIKey of 6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline?
The InChIKey is GAVVVEXUKQVAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c1-25(2,3)20-11-13-24-19(14-20)10-12-22(28-24)16-26(4,5)21-15-18-8-6-7-9-23(18)27-17-21/h6-15,17H,16H2,1-5H3.
What are the key properties of 6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline?
6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline has a molecular weight of 368.52 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline is sourced from PubChem (CID 131975391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).