(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid

C9H11BN2O3 — CID 130053587

IUPAC(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid
SMILESCN1CC(=O)Nc2ccc(B(O)O)cc21
InChIInChI=1S/C9H11BN2O3/c1-12-5-9(13)11-7-3-2-6(10(14)15)4-8(7)12/h2-4,14-15H,5H2,1H3,(H,11,13)
InChIKeyNFIJZTHWSMPNPZ-UHFFFAOYSA-N
MW206.01 g/mol
LogP-1.25
Rot. Bonds1

About (4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid

(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid (PubChem CID 130053587) has the molecular formula C9H11BN2O3 and a molecular weight of 206.01 g/mol. Its IUPAC name is (4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid.

Molecular Properties

Compound Name(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid
PubChem CID130053587
Molecular FormulaC9H11BN2O3
Molecular Weight206.01 g/mol
Exact Mass206.09
IUPAC Name(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid
SMILESCN1CC(=O)Nc2ccc(B(O)O)cc21
InChIInChI=1S/C9H11BN2O3/c1-12-5-9(13)11-7-3-2-6(10(14)15)4-8(7)12/h2-4,14-15H,5H2,1H3,(H,11,13)
InChIKeyNFIJZTHWSMPNPZ-UHFFFAOYSA-N
XLogP-1.25
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid?
The IUPAC name of (4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid (CID 130053587) is (4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid.
What is the SMILES notation for (4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid?
The canonical SMILES for (4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid is CN1CC(=O)Nc2ccc(B(O)O)cc21.
What is the InChIKey of (4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid?
The InChIKey is NFIJZTHWSMPNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BN2O3/c1-12-5-9(13)11-7-3-2-6(10(14)15)4-8(7)12/h2-4,14-15H,5H2,1H3,(H,11,13).
What are the key properties of (4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid?
(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid has a molecular weight of 206.01 g/mol, XLogP of -1.25, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid is sourced from PubChem (CID 130053587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).