1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol

C18H26BrNO3Si — CID 67130989

IUPAC1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol
SMILESCOc1ccc2ccc(Br)c(C(O)CO[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C18H26BrNO3Si/c1-18(2,3)24(5,6)23-11-14(21)16-13(19)9-7-12-8-10-15(22-4)20-17(12)16/h7-10,14,21H,11H2,1-6H3
InChIKeyGCFKGWWPWHXATI-UHFFFAOYSA-N
MW412.40 g/mol
LogP5.06
Rot. Bonds5

About 1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol

1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol (PubChem CID 67130989) has the molecular formula C18H26BrNO3Si and a molecular weight of 412.40 g/mol. Its IUPAC name is 1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol.

Molecular Properties

Compound Name1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol
PubChem CID67130989
Molecular FormulaC18H26BrNO3Si
Molecular Weight412.40 g/mol
Exact Mass411.09
IUPAC Name1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol
SMILESCOc1ccc2ccc(Br)c(C(O)CO[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C18H26BrNO3Si/c1-18(2,3)24(5,6)23-11-14(21)16-13(19)9-7-12-8-10-15(22-4)20-17(12)16/h7-10,14,21H,11H2,1-6H3
InChIKeyGCFKGWWPWHXATI-UHFFFAOYSA-N
XLogP5.06
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol 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 1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The IUPAC name of 1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol (CID 67130989) is 1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol.
What is the SMILES notation for 1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The canonical SMILES for 1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol is COc1ccc2ccc(Br)c(C(O)CO[Si](C)(C)C(C)(C)C)c2n1.
What is the InChIKey of 1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The InChIKey is GCFKGWWPWHXATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO3Si/c1-18(2,3)24(5,6)23-11-14(21)16-13(19)9-7-12-8-10-15(22-4)20-17(12)16/h7-10,14,21H,11H2,1-6H3.
What are the key properties of 1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol?
1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol has a molecular weight of 412.40 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol is sourced from PubChem (CID 67130989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).