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

C16H14N4O — CID 135411610

IUPAC4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc2ccccc2nc1N/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H14N4O/c1-11-16(19-15-5-3-2-4-14(15)18-11)20-17-10-12-6-8-13(21)9-7-12/h2-10,21H,1H3,(H,19,20)/b17-10+
InChIKeyWDPUHMPVZBSBGB-LICLKQGHSA-N
MW278.32 g/mol
LogP3.09
Rot. Bonds3

About 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol

4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135411610) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135411610
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc2ccccc2nc1N/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H14N4O/c1-11-16(19-15-5-3-2-4-14(15)18-11)20-17-10-12-6-8-13(21)9-7-12/h2-10,21H,1H3,(H,19,20)/b17-10+
InChIKeyWDPUHMPVZBSBGB-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 ≤ 500278.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

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
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
(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
1-(2-Hydroxyphenyl)ethanone 2-quinolinylhydrazone
CID 297344
2-Hydroxybenzaldehyde methyl(2-quinolinyl)hydrazone
CID 297345
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
3-benzyl-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]quinoxalin-2-amine
CID 52943773

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol (CID 135411610) is 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol is Cc1nc2ccccc2nc1N/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is WDPUHMPVZBSBGB-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-16(19-15-5-3-2-4-14(15)18-11)20-17-10-12-6-8-13(21)9-7-12/h2-10,21H,1H3,(H,19,20)/b17-10+.
What are the key properties of 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 278.32 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 4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135411610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).