7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine

C14H18BN3O2 — CID 71049449

IUPAC7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine
SMILESCC1(C)OB(c2ccc3ncc(N)nc3c2)OC1(C)C
InChIInChI=1S/C14H18BN3O2/c1-13(2)14(3,4)20-15(19-13)9-5-6-10-11(7-9)18-12(16)8-17-10/h5-8H,1-4H3,(H2,16,18)
InChIKeyHINOFZWRQMBGTL-UHFFFAOYSA-N
MW271.13 g/mol
LogP1.51
Rot. Bonds1

About 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine

7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine (PubChem CID 71049449) has the molecular formula C14H18BN3O2 and a molecular weight of 271.13 g/mol. Its IUPAC name is 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine
PubChem CID71049449
Molecular FormulaC14H18BN3O2
Molecular Weight271.13 g/mol
Exact Mass271.15
IUPAC Name7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine
SMILESCC1(C)OB(c2ccc3ncc(N)nc3c2)OC1(C)C
InChIInChI=1S/C14H18BN3O2/c1-13(2)14(3,4)20-15(19-13)9-5-6-10-11(7-9)18-12(16)8-17-10/h5-8H,1-4H3,(H2,16,18)
InChIKeyHINOFZWRQMBGTL-UHFFFAOYSA-N
XLogP1.51
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine?
The IUPAC name of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine (CID 71049449) is 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine.
What is the SMILES notation for 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine?
The canonical SMILES for 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine is CC1(C)OB(c2ccc3ncc(N)nc3c2)OC1(C)C.
What is the InChIKey of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine?
The InChIKey is HINOFZWRQMBGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BN3O2/c1-13(2)14(3,4)20-15(19-13)9-5-6-10-11(7-9)18-12(16)8-17-10/h5-8H,1-4H3,(H2,16,18).
What are the key properties of 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine?
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine has a molecular weight of 271.13 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine is sourced from PubChem (CID 71049449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).