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

C16H14N4O2 — CID 137167571

IUPAC4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1ccc(O)c(/C=N/Nc2cnc3ccccc3n2)c1
InChIInChI=1S/C16H14N4O2/c1-22-12-6-7-15(21)11(8-12)9-18-20-16-10-17-13-4-2-3-5-14(13)19-16/h2-10,21H,1H3,(H,19,20)/b18-9+
InChIKeyKBZCBWXDZDWQLM-GIJQJNRQSA-N
MW294.31 g/mol
LogP2.79
Rot. Bonds4

About 4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol

4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 137167571) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol
PubChem CID137167571
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1ccc(O)c(/C=N/Nc2cnc3ccccc3n2)c1
InChIInChI=1S/C16H14N4O2/c1-22-12-6-7-15(21)11(8-12)9-18-20-16-10-17-13-4-2-3-5-14(13)19-16/h2-10,21H,1H3,(H,19,20)/b18-9+
InChIKeyKBZCBWXDZDWQLM-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': '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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Related Compounds

4-{(E)-[2-(3-methylquinoxalin-2-yl)hydrazinylidene]methyl}phenol
CID 135411610
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-methylquinoxalin-2-amine
CID 5336606
Benzaldehyde, 2-quinoxalinylhydrazone
CID 135443552
(E)-3-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,2-diol (14)
CID 136237993
2-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-3-methylquinoxaline
CID 9666713
2-{(1E)-1-[2-(3-methylquinoxalin-2-yl)hydrazinylidene]ethyl}phenol
CID 135411632
1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea
CID 135519989
(E)-4-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,2-diol (17)
CID 136240110
(E)-5-methoxy-2-((2-(quinoxalin-2-yl)hydrazono)methyl)phenol (20)
CID 136249385
(E)-5-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,2,4-triol (18)
CID 137167569
3-benzyl-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 52942492
3-benzyl-N-[(E)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 52942856

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol (CID 137167571) is 4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol is COc1ccc(O)c(/C=N/Nc2cnc3ccccc3n2)c1.
What is the InChIKey of 4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is KBZCBWXDZDWQLM-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-12-6-7-15(21)11(8-12)9-18-20-16-10-17-13-4-2-3-5-14(13)19-16/h2-10,21H,1H3,(H,19,20)/b18-9+.
What are the key properties of 4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol?
4-methoxy-2-[(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 4-methoxy-2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 137167571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).