2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol

C16H14N4O — CID 135411506

IUPAC2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc2ccccc2nc1N/N=C/c1ccccc1O
InChIInChI=1S/C16H14N4O/c1-11-16(19-14-8-4-3-7-13(14)18-11)20-17-10-12-6-2-5-9-15(12)21/h2-10,21H,1H3,(H,19,20)/b17-10+
InChIKeyWIJXJAZNEMYMOR-LICLKQGHSA-N
MW278.31 g/mol
LogP3.09
Rot. Bonds3

About 2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol

2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135411506) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135411506
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc2ccccc2nc1N/N=C/c1ccccc1O
InChIInChI=1S/C16H14N4O/c1-11-16(19-14-8-4-3-7-13(14)18-11)20-17-10-12-6-2-5-9-15(12)21/h2-10,21H,1H3,(H,19,20)/b17-10+
InChIKeyWIJXJAZNEMYMOR-LICLKQGHSA-N
XLogP3.09
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.09
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)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol (CID 135411506) is 2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol is Cc1nc2ccccc2nc1N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is WIJXJAZNEMYMOR-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-16(19-14-8-4-3-7-13(14)18-11)20-17-10-12-6-2-5-9-15(12)21/h2-10,21H,1H3,(H,19,20)/b17-10+.
What are the key properties of 2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 278.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135411506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).