8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one

C15H18BNO3 — CID 67303777

IUPAC8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one
SMILESCC1(C)OB(c2cccc3ccc(=O)[nH]c23)OC1(C)C
InChIInChI=1S/C15H18BNO3/c1-14(2)15(3,4)20-16(19-14)11-7-5-6-10-8-9-12(18)17-13(10)11/h5-9H,1-4H3,(H,17,18)
InChIKeyPBVHCKNOXJJGRV-UHFFFAOYSA-N
MW271.12 g/mol
LogP1.83
Rot. Bonds1

About 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one

8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one (PubChem CID 67303777) has the molecular formula C15H18BNO3 and a molecular weight of 271.12 g/mol. Its IUPAC name is 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one
PubChem CID67303777
Molecular FormulaC15H18BNO3
Molecular Weight271.12 g/mol
Exact Mass271.14
IUPAC Name8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one
SMILESCC1(C)OB(c2cccc3ccc(=O)[nH]c23)OC1(C)C
InChIInChI=1S/C15H18BNO3/c1-14(2)15(3,4)20-16(19-14)11-7-5-6-10-8-9-12(18)17-13(10)11/h5-9H,1-4H3,(H,17,18)
InChIKeyPBVHCKNOXJJGRV-UHFFFAOYSA-N
XLogP1.83
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one?
The IUPAC name of 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one (CID 67303777) is 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one is CC1(C)OB(c2cccc3ccc(=O)[nH]c23)OC1(C)C.
What is the InChIKey of 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one?
The InChIKey is PBVHCKNOXJJGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BNO3/c1-14(2)15(3,4)20-16(19-14)11-7-5-6-10-8-9-12(18)17-13(10)11/h5-9H,1-4H3,(H,17,18).
What are the key properties of 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one?
8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one has a molecular weight of 271.12 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 67303777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).