2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol

C24H28N2O — CID 137296032

IUPAC2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol
SMILESCC(C)(C)c1cc(/C=N/c2cccc3ncccc23)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H28N2O/c1-23(2,3)18-13-16(14-19(22(18)27)24(4,5)6)15-26-21-11-7-10-20-17(21)9-8-12-25-20/h7-15,27H,1-6H3/b26-15+
InChIKeyNKLMMIXUIHOPPF-CVKSISIWSA-N
MW360.50 g/mol
LogP6.29
Rot. Bonds2

About 2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol

2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol (PubChem CID 137296032) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol
PubChem CID137296032
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol
SMILESCC(C)(C)c1cc(/C=N/c2cccc3ncccc23)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H28N2O/c1-23(2,3)18-13-16(14-19(22(18)27)24(4,5)6)15-26-21-11-7-10-20-17(21)9-8-12-25-20/h7-15,27H,1-6H3/b26-15+
InChIKeyNKLMMIXUIHOPPF-CVKSISIWSA-N
XLogP6.29
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol (CID 137296032) is 2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol is CC(C)(C)c1cc(/C=N/c2cccc3ncccc23)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol?
The InChIKey is NKLMMIXUIHOPPF-CVKSISIWSA-N. The full InChI is InChI=1S/C24H28N2O/c1-23(2,3)18-13-16(14-19(22(18)27)24(4,5)6)15-26-21-11-7-10-20-17(21)9-8-12-25-20/h7-15,27H,1-6H3/b26-15+.
What are the key properties of 2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol?
2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol has a molecular weight of 360.50 g/mol, XLogP of 6.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(quinolin-5-yliminomethyl)phenol is sourced from PubChem (CID 137296032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).