7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

C16H21BN2O4 — CID 166586259

IUPAC7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
SMILESCOCOc1cc2ncncc2cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H21BN2O4/c1-15(2)16(3,4)23-17(22-15)12-6-11-8-18-9-19-13(11)7-14(12)21-10-20-5/h6-9H,10H2,1-5H3
InChIKeyCUUSQCUMNBVGSE-UHFFFAOYSA-N
MW316.17 g/mol
LogP1.91
Rot. Bonds4

About 7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline (PubChem CID 166586259) has the molecular formula C16H21BN2O4 and a molecular weight of 316.17 g/mol. Its IUPAC name is 7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline.

Molecular Properties

Compound Name7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
PubChem CID166586259
Molecular FormulaC16H21BN2O4
Molecular Weight316.17 g/mol
Exact Mass316.16
IUPAC Name7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
SMILESCOCOc1cc2ncncc2cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H21BN2O4/c1-15(2)16(3,4)23-17(22-15)12-6-11-8-18-9-19-13(11)7-14(12)21-10-20-5/h6-9H,10H2,1-5H3
InChIKeyCUUSQCUMNBVGSE-UHFFFAOYSA-N
XLogP1.91
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?
The IUPAC name of 7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline (CID 166586259) is 7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline.
What is the SMILES notation for 7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?
The canonical SMILES for 7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline is COCOc1cc2ncncc2cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?
The InChIKey is CUUSQCUMNBVGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BN2O4/c1-15(2)16(3,4)23-17(22-15)12-6-11-8-18-9-19-13(11)7-14(12)21-10-20-5/h6-9H,10H2,1-5H3.
What are the key properties of 7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?
7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline has a molecular weight of 316.17 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline is sourced from PubChem (CID 166586259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).