4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol

C18H16BrN3O2 — CID 4209971

IUPAC4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2ccc3nc(C)c(C)nc3c2)c1O
InChIInChI=1S/C18H16BrN3O2/c1-10-11(2)22-16-8-14(4-5-15(16)21-10)20-9-12-6-13(19)7-17(24-3)18(12)23/h4-9,23H,1-3H3/b20-9+
InChIKeyNATZKSGVHZWXHN-AWQFTUOYSA-N
MW386.25 g/mol
LogP4.47
Rot. Bonds3

About 4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol

4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol (PubChem CID 4209971) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol
PubChem CID4209971
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2ccc3nc(C)c(C)nc3c2)c1O
InChIInChI=1S/C18H16BrN3O2/c1-10-11(2)22-16-8-14(4-5-15(16)21-10)20-9-12-6-13(19)7-17(24-3)18(12)23/h4-9,23H,1-3H3/b20-9+
InChIKeyNATZKSGVHZWXHN-AWQFTUOYSA-N
XLogP4.47
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol (CID 4209971) is 4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol is COc1cc(Br)cc(/C=N/c2ccc3nc(C)c(C)nc3c2)c1O.
What is the InChIKey of 4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol?
The InChIKey is NATZKSGVHZWXHN-AWQFTUOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-10-11(2)22-16-8-14(4-5-15(16)21-10)20-9-12-6-13(19)7-17(24-3)18(12)23/h4-9,23H,1-3H3/b20-9+.
What are the key properties of 4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol?
4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol has a molecular weight of 386.25 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2,3-dimethylquinoxalin-6-yl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 4209971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).