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

C15H20BNO3 — CID 89445245

IUPAC1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one
SMILESCC1(C)OB(N2C(=O)CCc3ccccc32)OC1(C)C
InChIInChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)17-12-8-6-5-7-11(12)9-10-13(17)18/h5-8H,9-10H2,1-4H3
InChIKeyRWTMMBVWFOQNCH-UHFFFAOYSA-N
MW273.14 g/mol
LogP2.55
Rot. Bonds1

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

1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one (PubChem CID 89445245) has the molecular formula C15H20BNO3 and a molecular weight of 273.14 g/mol. Its IUPAC name is 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one
PubChem CID89445245
Molecular FormulaC15H20BNO3
Molecular Weight273.14 g/mol
Exact Mass273.15
IUPAC Name1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one
SMILESCC1(C)OB(N2C(=O)CCc3ccccc32)OC1(C)C
InChIInChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)17-12-8-6-5-7-11(12)9-10-13(17)18/h5-8H,9-10H2,1-4H3
InChIKeyRWTMMBVWFOQNCH-UHFFFAOYSA-N
XLogP2.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-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

Related Compounds

CID 64796
CID 64796
CID 13836673
CID 13836673
CID 576513
CID 576513
CID 22413775
CID 22413775
CID 59117187
CID 59117187
CID 72208233
CID 72208233
CID 119081612
CID 119081612
CID 133616931
CID 133616931
CID 164731
CID 164731
CID 5076748
CID 5076748
CID 5246148
CID 5246148
CID 10953822
CID 10953822

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one (CID 89445245) is 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-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)-3,4-dihydroquinolin-2-one?
The InChIKey is RWTMMBVWFOQNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)17-12-8-6-5-7-11(12)9-10-13(17)18/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one?
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one has a molecular weight of 273.14 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 89445245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).