2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol

C15H12N4O — CID 135443552

IUPAC2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1cnc2ccccc2n1
InChIInChI=1S/C15H12N4O/c20-14-8-4-1-5-11(14)9-17-19-15-10-16-12-6-2-3-7-13(12)18-15/h1-10,20H,(H,18,19)/b17-9+
InChIKeyNLKMOIDNHNAMNW-RQZCQDPDSA-N
MW264.29 g/mol
LogP2.78
Rot. Bonds3

About 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol

2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135443552) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol
PubChem CID135443552
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1cnc2ccccc2n1
InChIInChI=1S/C15H12N4O/c20-14-8-4-1-5-11(14)9-17-19-15-10-16-12-6-2-3-7-13(12)18-15/h1-10,20H,(H,18,19)/b17-9+
InChIKeyNLKMOIDNHNAMNW-RQZCQDPDSA-N
XLogP2.78
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol (CID 135443552) is 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol is Oc1ccccc1/C=N/Nc1cnc2ccccc2n1.
What is the InChIKey of 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is NLKMOIDNHNAMNW-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12N4O/c20-14-8-4-1-5-11(14)9-17-19-15-10-16-12-6-2-3-7-13(12)18-15/h1-10,20H,(H,18,19)/b17-9+.
What are the key properties of 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol?
2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 264.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135443552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).