1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one

C15H18BNO3 — CID 162192616

IUPAC1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one
SMILESCC1(C)OB(n2c(=O)ccc3ccccc32)OC1(C)C
InChIInChI=1S/C15H18BNO3/c1-14(2)15(3,4)20-16(19-14)17-12-8-6-5-7-11(12)9-10-13(17)18/h5-10H,1-4H3
InChIKeyZQMYKELXLBSIHL-UHFFFAOYSA-N
MW271.12 g/mol
LogP2.44
Rot. Bonds1

About 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one

1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one (PubChem CID 162192616) has the molecular formula C15H18BNO3 and a molecular weight of 271.12 g/mol. Its IUPAC name is 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one.

Molecular Properties

Compound Name1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one
PubChem CID162192616
Molecular FormulaC15H18BNO3
Molecular Weight271.12 g/mol
Exact Mass271.14
IUPAC Name1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one
SMILESCC1(C)OB(n2c(=O)ccc3ccccc32)OC1(C)C
InChIInChI=1S/C15H18BNO3/c1-14(2)15(3,4)20-16(19-14)17-12-8-6-5-7-11(12)9-10-13(17)18/h5-10H,1-4H3
InChIKeyZQMYKELXLBSIHL-UHFFFAOYSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 52.44
H-Bond Donors ≤ 50
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 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one?
The IUPAC name of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one (CID 162192616) is 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one.
What is the SMILES notation for 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one?
The canonical SMILES for 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one is CC1(C)OB(n2c(=O)ccc3ccccc32)OC1(C)C.
What is the InChIKey of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one?
The InChIKey is ZQMYKELXLBSIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BNO3/c1-14(2)15(3,4)20-16(19-14)17-12-8-6-5-7-11(12)9-10-13(17)18/h5-10H,1-4H3.
What are the key properties of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one?
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one has a molecular weight of 271.12 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one is sourced from PubChem (CID 162192616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).