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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Related Compounds

1-(7-tert-butylnaphthalen-2-yl)-2-quinolin-3-ylpropan-2-ol
CID 91563898
4-methyl-4-quinolin-3-ylpentan-2-amine
CID 64718063
3-(4-ethylsulfanyl-2-methylbutan-2-yl)quinoline
CID 167157255
3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine
CID 81023267
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 157191671
3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline
CID 116985177
1-(4-fluorophenyl)-2-quinolin-3-ylpropan-2-amine
CID 114833902
3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
CID 163657036
2-methyl-2-(quinolin-2-ylmethyl)propanedinitrile
CID 134855925
6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 158095111
1-quinolin-3-yl-1-thiophen-2-ylethanol
CID 55163309

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).