2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol

C16H14N4O2 — CID 122164671

IUPAC2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1ccc(/C=N/Nc2cnc3ccccc3n2)cc1O
InChIInChI=1S/C16H14N4O2/c1-22-15-7-6-11(8-14(15)21)9-18-20-16-10-17-12-4-2-3-5-13(12)19-16/h2-10,21H,1H3,(H,19,20)/b18-9+
InChIKeyAOBLCPCKQVPVRX-GIJQJNRQSA-N
MW294.31 g/mol
LogP2.79
Rot. Bonds4

About 2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol

2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 122164671) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol
PubChem CID122164671
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1ccc(/C=N/Nc2cnc3ccccc3n2)cc1O
InChIInChI=1S/C16H14N4O2/c1-22-15-7-6-11(8-14(15)21)9-18-20-16-10-17-12-4-2-3-5-13(12)19-16/h2-10,21H,1H3,(H,19,20)/b18-9+
InChIKeyAOBLCPCKQVPVRX-GIJQJNRQSA-N
XLogP2.79
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol (CID 122164671) is 2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol is COc1ccc(/C=N/Nc2cnc3ccccc3n2)cc1O.
What is the InChIKey of 2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is AOBLCPCKQVPVRX-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-15-7-6-11(8-14(15)21)9-18-20-16-10-17-12-4-2-3-5-13(12)19-16/h2-10,21H,1H3,(H,19,20)/b18-9+.
What are the key properties of 2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol?
2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 294.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 122164671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).