(1-methyl-2H-quinolin-7-yl)boronic acid

C10H12BNO2 — CID 123216156

IUPAC(1-methyl-2H-quinolin-7-yl)boronic acid
SMILESCN1CC=Cc2ccc(B(O)O)cc21
InChIInChI=1S/C10H12BNO2/c1-12-6-2-3-8-4-5-9(11(13)14)7-10(8)12/h2-5,7,13-14H,6H2,1H3
InChIKeyPWZVMVNHDOBWAI-UHFFFAOYSA-N
MW189.02 g/mol
LogP-0.17
Rot. Bonds1

About (1-methyl-2H-quinolin-7-yl)boronic acid

(1-methyl-2H-quinolin-7-yl)boronic acid (PubChem CID 123216156) has the molecular formula C10H12BNO2 and a molecular weight of 189.02 g/mol. Its IUPAC name is (1-methyl-2H-quinolin-7-yl)boronic acid.

Molecular Properties

Compound Name(1-methyl-2H-quinolin-7-yl)boronic acid
PubChem CID123216156
Molecular FormulaC10H12BNO2
Molecular Weight189.02 g/mol
Exact Mass189.10
IUPAC Name(1-methyl-2H-quinolin-7-yl)boronic acid
SMILESCN1CC=Cc2ccc(B(O)O)cc21
InChIInChI=1S/C10H12BNO2/c1-12-6-2-3-8-4-5-9(11(13)14)7-10(8)12/h2-5,7,13-14H,6H2,1H3
InChIKeyPWZVMVNHDOBWAI-UHFFFAOYSA-N
XLogP-0.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.02
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-methyl-2H-quinolin-7-yl)boronic acid 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-methyl-2H-quinolin-7-yl)boronic acid?
The IUPAC name of (1-methyl-2H-quinolin-7-yl)boronic acid (CID 123216156) is (1-methyl-2H-quinolin-7-yl)boronic acid.
What is the SMILES notation for (1-methyl-2H-quinolin-7-yl)boronic acid?
The canonical SMILES for (1-methyl-2H-quinolin-7-yl)boronic acid is CN1CC=Cc2ccc(B(O)O)cc21.
What is the InChIKey of (1-methyl-2H-quinolin-7-yl)boronic acid?
The InChIKey is PWZVMVNHDOBWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BNO2/c1-12-6-2-3-8-4-5-9(11(13)14)7-10(8)12/h2-5,7,13-14H,6H2,1H3.
What are the key properties of (1-methyl-2H-quinolin-7-yl)boronic acid?
(1-methyl-2H-quinolin-7-yl)boronic acid has a molecular weight of 189.02 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2H-quinolin-7-yl)boronic acid is sourced from PubChem (CID 123216156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).