(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid

C12H15BN2O4 — CID 18726588

IUPAC(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid
SMILESCOc1nc2cc(C)c(C)c(B(O)O)c2nc1OC
InChIInChI=1S/C12H15BN2O4/c1-6-5-8-10(9(7(6)2)13(16)17)15-12(19-4)11(14-8)18-3/h5,16-17H,1-4H3
InChIKeyLTVAGFJCWNZEAX-UHFFFAOYSA-N
MW262.07 g/mol
LogP-0.06
Rot. Bonds3

About (2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid

(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid (PubChem CID 18726588) has the molecular formula C12H15BN2O4 and a molecular weight of 262.07 g/mol. Its IUPAC name is (2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid.

Molecular Properties

Compound Name(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid
PubChem CID18726588
Molecular FormulaC12H15BN2O4
Molecular Weight262.07 g/mol
Exact Mass262.11
IUPAC Name(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid
SMILESCOc1nc2cc(C)c(C)c(B(O)O)c2nc1OC
InChIInChI=1S/C12H15BN2O4/c1-6-5-8-10(9(7(6)2)13(16)17)15-12(19-4)11(14-8)18-3/h5,16-17H,1-4H3
InChIKeyLTVAGFJCWNZEAX-UHFFFAOYSA-N
XLogP-0.06
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethoxyquinoxaline
CID 236274
2,3-Dimethoxy-6,7-dimethylquinoxaline
CID 14842752
5-(2-Fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline
CID 18726746
N-(2,3-Dimethoxy-6,7-dimethylquinoxalin-5-yl)-trifluoromethanesulphonamide
CID 22097023
5-Azidomethyl-2,3-dimethoxy-7-fluoroquinoxaline
CID 23297968
5-Aminomethyl-2,3-dimethoxy-7-fluoroquinoxaline
CID 23298016
5-Bromomethyl-2,3-dimethoxy-7-fluoroquinoxaline
CID 23298034
2,3-Dimethoxy-7-fluoro-5-methylquinoxaline
CID 23298052
2-Methoxy-3,6-dimethyl-7-(trifluoromethyl)quinoxaline
CID 59874455
6-Fluoro-2-methoxy-3,7-dimethylquinoxaline
CID 59874532
5-Ethenyl-6-fluoro-2,3-dimethoxyquinoxaline
CID 67131134
2-Methoxy-3-methyl-6-(trifluoromethyl)quinoxaline
CID 68038277

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid?
The IUPAC name of (2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid (CID 18726588) is (2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid.
What is the SMILES notation for (2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid?
The canonical SMILES for (2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid is COc1nc2cc(C)c(C)c(B(O)O)c2nc1OC.
What is the InChIKey of (2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid?
The InChIKey is LTVAGFJCWNZEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BN2O4/c1-6-5-8-10(9(7(6)2)13(16)17)15-12(19-4)11(14-8)18-3/h5,16-17H,1-4H3.
What are the key properties of (2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid?
(2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid has a molecular weight of 262.07 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxy-6,7-dimethylquinoxalin-5-yl)boronic acid is sourced from PubChem (CID 18726588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).