2-(quinoxalin-2-ylmethylideneamino)phenol

C15H11N3O — CID 135531091

IUPAC2-(quinoxalin-2-ylmethylideneamino)phenol
SMILESOc1ccccc1/N=C/c1cnc2ccccc2n1
InChIInChI=1S/C15H11N3O/c19-15-8-4-3-7-14(15)17-10-11-9-16-12-5-1-2-6-13(12)18-11/h1-10,19H/b17-10+
InChIKeyFFRUTHYEVZMGST-LICLKQGHSA-N
MW249.27 g/mol
LogP3.09
Rot. Bonds2

About 2-(quinoxalin-2-ylmethylideneamino)phenol

2-(quinoxalin-2-ylmethylideneamino)phenol (PubChem CID 135531091) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(quinoxalin-2-ylmethylideneamino)phenol.

Molecular Properties

Compound Name2-(quinoxalin-2-ylmethylideneamino)phenol
PubChem CID135531091
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name2-(quinoxalin-2-ylmethylideneamino)phenol
SMILESOc1ccccc1/N=C/c1cnc2ccccc2n1
InChIInChI=1S/C15H11N3O/c19-15-8-4-3-7-14(15)17-10-11-9-16-12-5-1-2-6-13(12)18-11/h1-10,19H/b17-10+
InChIKeyFFRUTHYEVZMGST-LICLKQGHSA-N
XLogP3.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(quinoxalin-2-ylmethylideneamino)phenol?
The IUPAC name of 2-(quinoxalin-2-ylmethylideneamino)phenol (CID 135531091) is 2-(quinoxalin-2-ylmethylideneamino)phenol.
What is the SMILES notation for 2-(quinoxalin-2-ylmethylideneamino)phenol?
The canonical SMILES for 2-(quinoxalin-2-ylmethylideneamino)phenol is Oc1ccccc1/N=C/c1cnc2ccccc2n1.
What is the InChIKey of 2-(quinoxalin-2-ylmethylideneamino)phenol?
The InChIKey is FFRUTHYEVZMGST-LICLKQGHSA-N. The full InChI is InChI=1S/C15H11N3O/c19-15-8-4-3-7-14(15)17-10-11-9-16-12-5-1-2-6-13(12)18-11/h1-10,19H/b17-10+.
What are the key properties of 2-(quinoxalin-2-ylmethylideneamino)phenol?
2-(quinoxalin-2-ylmethylideneamino)phenol has a molecular weight of 249.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoxalin-2-ylmethylideneamino)phenol is sourced from PubChem (CID 135531091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).