tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid

C15H20ClNO3Si — CID 162016454

IUPACtert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid
SMILESC[SiH2]C(C)(C)C.O=C(O)c1cc2cccc(O)c2nc1Cl
InChIInChI=1S/C10H6ClNO3.C5H14Si/c11-9-6(10(14)15)4-5-2-1-3-7(13)8(5)12-9;1-5(2,3)6-4/h1-4,13H,(H,14,15);6H2,1-4H3
InChIKeyYUEANZCHLJCESM-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.71
Rot. Bonds1

About tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid

tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid (PubChem CID 162016454) has the molecular formula C15H20ClNO3Si and a molecular weight of 325.87 g/mol. Its IUPAC name is tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Nametert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid
PubChem CID162016454
Molecular FormulaC15H20ClNO3Si
Molecular Weight325.87 g/mol
Exact Mass325.09
IUPAC Nametert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid
SMILESC[SiH2]C(C)(C)C.O=C(O)c1cc2cccc(O)c2nc1Cl
InChIInChI=1S/C10H6ClNO3.C5H14Si/c11-9-6(10(14)15)4-5-2-1-3-7(13)8(5)12-9;1-5(2,3)6-4/h1-4,13H,(H,14,15);6H2,1-4H3
InChIKeyYUEANZCHLJCESM-UHFFFAOYSA-N
XLogP3.71
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid?
The IUPAC name of tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid (CID 162016454) is tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid.
What is the SMILES notation for tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid?
The canonical SMILES for tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid is C[SiH2]C(C)(C)C.O=C(O)c1cc2cccc(O)c2nc1Cl.
What is the InChIKey of tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid?
The InChIKey is YUEANZCHLJCESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3.C5H14Si/c11-9-6(10(14)15)4-5-2-1-3-7(13)8(5)12-9;1-5(2,3)6-4/h1-4,13H,(H,14,15);6H2,1-4H3.
What are the key properties of tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid?
tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid has a molecular weight of 325.87 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(methyl)silane;2-chloro-8-hydroxyquinoline-3-carboxylic acid is sourced from PubChem (CID 162016454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).