2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol

C16H21BN2O4 — CID 142321842

IUPAC2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol
SMILESCC1(C)OB(c2ccc3ncc(OCCO)nc3c2)OC1(C)C
InChIInChI=1S/C16H21BN2O4/c1-15(2)16(3,4)23-17(22-15)11-5-6-12-13(9-11)19-14(10-18-12)21-8-7-20/h5-6,9-10,20H,7-8H2,1-4H3
InChIKeyRPOGPCPNQZDDOO-UHFFFAOYSA-N
MW316.17 g/mol
LogP1.30
Rot. Bonds4

About 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol

2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol (PubChem CID 142321842) has the molecular formula C16H21BN2O4 and a molecular weight of 316.17 g/mol. Its IUPAC name is 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol
PubChem CID142321842
Molecular FormulaC16H21BN2O4
Molecular Weight316.17 g/mol
Exact Mass316.16
IUPAC Name2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol
SMILESCC1(C)OB(c2ccc3ncc(OCCO)nc3c2)OC1(C)C
InChIInChI=1S/C16H21BN2O4/c1-15(2)16(3,4)23-17(22-15)11-5-6-12-13(9-11)19-14(10-18-12)21-8-7-20/h5-6,9-10,20H,7-8H2,1-4H3
InChIKeyRPOGPCPNQZDDOO-UHFFFAOYSA-N
XLogP1.30
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol?
The IUPAC name of 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol (CID 142321842) is 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol.
What is the SMILES notation for 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol?
The canonical SMILES for 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol is CC1(C)OB(c2ccc3ncc(OCCO)nc3c2)OC1(C)C.
What is the InChIKey of 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol?
The InChIKey is RPOGPCPNQZDDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BN2O4/c1-15(2)16(3,4)23-17(22-15)11-5-6-12-13(9-11)19-14(10-18-12)21-8-7-20/h5-6,9-10,20H,7-8H2,1-4H3.
What are the key properties of 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol?
2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol has a molecular weight of 316.17 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol is sourced from PubChem (CID 142321842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).