2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol

C15H12N4O3 — CID 137167570

IUPAC2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(/C=N/Nc2cnc3ccccc3n2)c(O)c1
InChIInChI=1S/C15H12N4O3/c20-9-5-13(21)10(14(22)6-9)7-17-19-15-8-16-11-3-1-2-4-12(11)18-15/h1-8,20-22H,(H,18,19)/b17-7+
InChIKeyCUPRSRNLHSTSTG-REZTVBANSA-N
MW296.29 g/mol
LogP2.19
Rot. Bonds3

About 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol

2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol (PubChem CID 137167570) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol
PubChem CID137167570
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol
SMILESOc1cc(O)c(/C=N/Nc2cnc3ccccc3n2)c(O)c1
InChIInChI=1S/C15H12N4O3/c20-9-5-13(21)10(14(22)6-9)7-17-19-15-8-16-11-3-1-2-4-12(11)18-15/h1-8,20-22H,(H,18,19)/b17-7+
InChIKeyCUPRSRNLHSTSTG-REZTVBANSA-N
XLogP2.19
TPSA110.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

2,4-Dihydroxybenzaldehyde [5-(trifluoromethyl)pyridin-2-yl]hydrazone
CID 135457735
4-{(E)-[2-(3-methylquinoxalin-2-yl)hydrazinylidene]methyl}phenol
CID 135411610
Benzaldehyde, 2-quinoxalinylhydrazone
CID 135443552
(E)-3-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,2-diol (14)
CID 136237993
4-{(E)-[2-(3-methylquinoxalin-2-yl)hydrazinylidene]methyl}benzene-1,3-diol
CID 135411608
2-{(1E)-1-[2-(3-methylquinoxalin-2-yl)hydrazinylidene]ethyl}phenol
CID 135411632
2-Methyl-4-[(3-nitro-pyridin-2-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135443097
4-[(E)-{2-[2-(pyridin-3-yl)quinazolin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650675
2-methyl-4-[(E)-{(2E)-[2-(pyridin-3-yl)quinazolin-4(3H)-ylidene]hydrazinylidene}methyl]benzene-1,3-diol
CID 135651038
4-[[(5-Nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 4356262
2,4-Dihydroxybenzaldehyde 8-quinolinylhydrazone
CID 135446612
(E)-4-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,2-diol (17)
CID 136240110

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol?
The IUPAC name of 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol (CID 137167570) is 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol.
What is the SMILES notation for 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol?
The canonical SMILES for 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol is Oc1cc(O)c(/C=N/Nc2cnc3ccccc3n2)c(O)c1.
What is the InChIKey of 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol?
The InChIKey is CUPRSRNLHSTSTG-REZTVBANSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-9-5-13(21)10(14(22)6-9)7-17-19-15-8-16-11-3-1-2-4-12(11)18-15/h1-8,20-22H,(H,18,19)/b17-7+.
What are the key properties of 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol?
2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol has a molecular weight of 296.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(quinoxalin-2-ylhydrazinylidene)methyl]benzene-1,3,5-triol is sourced from PubChem (CID 137167570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).