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

C16H14N4O — CID 39869221

IUPAC3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc2ccccc2nc1N/N=C/c1cccc(O)c1
InChIInChI=1S/C16H14N4O/c1-11-16(19-15-8-3-2-7-14(15)18-11)20-17-10-12-5-4-6-13(21)9-12/h2-10,21H,1H3,(H,19,20)/b17-10+
InChIKeyFEYVFTVJSPEYTO-LICLKQGHSA-N
MW278.31 g/mol
LogP3.09
Rot. Bonds3

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

3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 39869221) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID39869221
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc2ccccc2nc1N/N=C/c1cccc(O)c1
InChIInChI=1S/C16H14N4O/c1-11-16(19-15-8-3-2-7-14(15)18-11)20-17-10-12-5-4-6-13(21)9-12/h2-10,21H,1H3,(H,19,20)/b17-10+
InChIKeyFEYVFTVJSPEYTO-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 ≤ 500278.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-methoxy-4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411435
3-[(E)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 92856506
2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411529
3-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 110509088
3-[[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 3141483
3-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135590866
3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 3422737
3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 139976250
3-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110536669
3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 6410114
N-[6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]acetamide
CID 155673746
6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 1417226

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol (CID 39869221) is 3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol is Cc1nc2ccccc2nc1N/N=C/c1cccc(O)c1.
What is the InChIKey of 3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is FEYVFTVJSPEYTO-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-16(19-15-8-3-2-7-14(15)18-11)20-17-10-12-5-4-6-13(21)9-12/h2-10,21H,1H3,(H,19,20)/b17-10+.
What are the key properties of 3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 278.31 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 3-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 39869221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).