2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol

C17H16N4O2 — CID 135411529

IUPAC2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/Nc2nc3ccccc3nc2C)c1O
InChIInChI=1S/C17H16N4O2/c1-11-17(20-14-8-4-3-7-13(14)19-11)21-18-10-12-6-5-9-15(23-2)16(12)22/h3-10,22H,1-2H3,(H,20,21)/b18-10+
InChIKeyUWODNIIVJUSCTF-VCHYOVAHSA-N
MW308.34 g/mol
LogP3.10
Rot. Bonds4

About 2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol

2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135411529) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135411529
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/Nc2nc3ccccc3nc2C)c1O
InChIInChI=1S/C17H16N4O2/c1-11-17(20-14-8-4-3-7-13(14)19-11)21-18-10-12-6-5-9-15(23-2)16(12)22/h3-10,22H,1-2H3,(H,20,21)/b18-10+
InChIKeyUWODNIIVJUSCTF-VCHYOVAHSA-N
XLogP3.10
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol (CID 135411529) is 2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol is COc1cccc(/C=N/Nc2nc3ccccc3nc2C)c1O.
What is the InChIKey of 2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is UWODNIIVJUSCTF-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-17(20-14-8-4-3-7-13(14)19-11)21-18-10-12-6-5-9-15(23-2)16(12)22/h3-10,22H,1-2H3,(H,20,21)/b18-10+.
What are the key properties of 2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol?
2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 308.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135411529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).