4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

C16H14N4O2 — CID 135411608

IUPAC4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1nc2ccccc2nc1N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C16H14N4O2/c1-10-16(19-14-5-3-2-4-13(14)18-10)20-17-9-11-6-7-12(21)8-15(11)22/h2-9,21-22H,1H3,(H,19,20)/b17-9+
InChIKeyOYIDIMLRONJMSI-RQZCQDPDSA-N
MW294.31 g/mol
LogP2.80
Rot. Bonds3

About 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135411608) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135411608
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1nc2ccccc2nc1N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C16H14N4O2/c1-10-16(19-14-5-3-2-4-13(14)18-10)20-17-9-11-6-7-12(21)8-15(11)22/h2-9,21-22H,1H3,(H,19,20)/b17-9+
InChIKeyOYIDIMLRONJMSI-RQZCQDPDSA-N
XLogP2.80
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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
2-{(1E)-1-[2-(3-methylquinoxalin-2-yl)hydrazinylidene]ethyl}phenol
CID 135411632
4-[(2-Methyl-quinolin-4-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135468585
4-[(E)-{2-[2-(pyridin-3-yl)quinazolin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650675
2,4-Dihydroxybenzaldehyde 8-quinolinylhydrazone
CID 135446612
(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
1-(2-Hydroxyphenyl)ethanone 2-quinolinylhydrazone
CID 297344
3-benzyl-N-[(E)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 52942856

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135411608) is 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is Cc1nc2ccccc2nc1N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is OYIDIMLRONJMSI-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-16(19-14-5-3-2-4-13(14)18-10)20-17-9-11-6-7-12(21)8-15(11)22/h2-9,21-22H,1H3,(H,19,20)/b17-9+.
What are the key properties of 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 294.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135411608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).