2-(quinolin-8-yliminomethyl)phenol

C16H12N2O — CID 4863480

IUPAC2-(quinolin-8-yliminomethyl)phenol
SMILESOc1ccccc1/C=N/c1cccc2cccnc12
InChIInChI=1S/C16H12N2O/c19-15-9-2-1-5-13(15)11-18-14-8-3-6-12-7-4-10-17-16(12)14/h1-11,19H/b18-11+
InChIKeyXEACNWPSQOJEBJ-WOJGMQOQSA-N
MW248.28 g/mol
LogP3.69
Rot. Bonds2

About 2-(quinolin-8-yliminomethyl)phenol

2-(quinolin-8-yliminomethyl)phenol (PubChem CID 4863480) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(quinolin-8-yliminomethyl)phenol.

Molecular Properties

Compound Name2-(quinolin-8-yliminomethyl)phenol
PubChem CID4863480
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name2-(quinolin-8-yliminomethyl)phenol
SMILESOc1ccccc1/C=N/c1cccc2cccnc12
InChIInChI=1S/C16H12N2O/c19-15-9-2-1-5-13(15)11-18-14-8-3-6-12-7-4-10-17-16(12)14/h1-11,19H/b18-11+
InChIKeyXEACNWPSQOJEBJ-WOJGMQOQSA-N
XLogP3.69
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.69
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-(quinolin-8-yliminomethyl)phenol?
The IUPAC name of 2-(quinolin-8-yliminomethyl)phenol (CID 4863480) is 2-(quinolin-8-yliminomethyl)phenol.
What is the SMILES notation for 2-(quinolin-8-yliminomethyl)phenol?
The canonical SMILES for 2-(quinolin-8-yliminomethyl)phenol is Oc1ccccc1/C=N/c1cccc2cccnc12.
What is the InChIKey of 2-(quinolin-8-yliminomethyl)phenol?
The InChIKey is XEACNWPSQOJEBJ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H12N2O/c19-15-9-2-1-5-13(15)11-18-14-8-3-6-12-7-4-10-17-16(12)14/h1-11,19H/b18-11+.
What are the key properties of 2-(quinolin-8-yliminomethyl)phenol?
2-(quinolin-8-yliminomethyl)phenol has a molecular weight of 248.28 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-8-yliminomethyl)phenol is sourced from PubChem (CID 4863480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).