(7-chloro-2,8-dimethylquinolin-4-yl)boronic acid

C11H11BClNO2 — CID 75485966

IUPAC(7-chloro-2,8-dimethylquinolin-4-yl)boronic acid
SMILESCc1cc(B(O)O)c2ccc(Cl)c(C)c2n1
InChIInChI=1S/C11H11BClNO2/c1-6-5-9(12(15)16)8-3-4-10(13)7(2)11(8)14-6/h3-5,15-16H,1-2H3
InChIKeyNOUOWVMQMNHEIA-UHFFFAOYSA-N
MW235.48 g/mol
LogP1.18
Rot. Bonds1

About (7-chloro-2,8-dimethylquinolin-4-yl)boronic acid

(7-chloro-2,8-dimethylquinolin-4-yl)boronic acid (PubChem CID 75485966) has the molecular formula C11H11BClNO2 and a molecular weight of 235.48 g/mol. Its IUPAC name is (7-chloro-2,8-dimethylquinolin-4-yl)boronic acid.

Molecular Properties

Compound Name(7-chloro-2,8-dimethylquinolin-4-yl)boronic acid
PubChem CID75485966
Molecular FormulaC11H11BClNO2
Molecular Weight235.48 g/mol
Exact Mass235.06
IUPAC Name(7-chloro-2,8-dimethylquinolin-4-yl)boronic acid
SMILESCc1cc(B(O)O)c2ccc(Cl)c(C)c2n1
InChIInChI=1S/C11H11BClNO2/c1-6-5-9(12(15)16)8-3-4-10(13)7(2)11(8)14-6/h3-5,15-16H,1-2H3
InChIKeyNOUOWVMQMNHEIA-UHFFFAOYSA-N
XLogP1.18
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.48
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (7-chloro-2,8-dimethylquinolin-4-yl)boronic acid?
The IUPAC name of (7-chloro-2,8-dimethylquinolin-4-yl)boronic acid (CID 75485966) is (7-chloro-2,8-dimethylquinolin-4-yl)boronic acid.
What is the SMILES notation for (7-chloro-2,8-dimethylquinolin-4-yl)boronic acid?
The canonical SMILES for (7-chloro-2,8-dimethylquinolin-4-yl)boronic acid is Cc1cc(B(O)O)c2ccc(Cl)c(C)c2n1.
What is the InChIKey of (7-chloro-2,8-dimethylquinolin-4-yl)boronic acid?
The InChIKey is NOUOWVMQMNHEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BClNO2/c1-6-5-9(12(15)16)8-3-4-10(13)7(2)11(8)14-6/h3-5,15-16H,1-2H3.
What are the key properties of (7-chloro-2,8-dimethylquinolin-4-yl)boronic acid?
(7-chloro-2,8-dimethylquinolin-4-yl)boronic acid has a molecular weight of 235.48 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2,8-dimethylquinolin-4-yl)boronic acid is sourced from PubChem (CID 75485966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).