3-(bromomethyl)-2-methoxy-6-methylquinoline

C12H12BrNO — CID 123300243

IUPAC3-(bromomethyl)-2-methoxy-6-methylquinoline
SMILESCOc1nc2ccc(C)cc2cc1CBr
InChIInChI=1S/C12H12BrNO/c1-8-3-4-11-9(5-8)6-10(7-13)12(14-11)15-2/h3-6H,7H2,1-2H3
InChIKeyIOLPNZZNWQPRML-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.45
Rot. Bonds2

About 3-(bromomethyl)-2-methoxy-6-methylquinoline

3-(bromomethyl)-2-methoxy-6-methylquinoline (PubChem CID 123300243) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 3-(bromomethyl)-2-methoxy-6-methylquinoline.

Molecular Properties

Compound Name3-(bromomethyl)-2-methoxy-6-methylquinoline
PubChem CID123300243
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name3-(bromomethyl)-2-methoxy-6-methylquinoline
SMILESCOc1nc2ccc(C)cc2cc1CBr
InChIInChI=1S/C12H12BrNO/c1-8-3-4-11-9(5-8)6-10(7-13)12(14-11)15-2/h3-6H,7H2,1-2H3
InChIKeyIOLPNZZNWQPRML-UHFFFAOYSA-N
XLogP3.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)-2-methoxy-6-methylquinoline 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 3-(bromomethyl)-2-methoxy-6-methylquinoline?
The IUPAC name of 3-(bromomethyl)-2-methoxy-6-methylquinoline (CID 123300243) is 3-(bromomethyl)-2-methoxy-6-methylquinoline.
What is the SMILES notation for 3-(bromomethyl)-2-methoxy-6-methylquinoline?
The canonical SMILES for 3-(bromomethyl)-2-methoxy-6-methylquinoline is COc1nc2ccc(C)cc2cc1CBr.
What is the InChIKey of 3-(bromomethyl)-2-methoxy-6-methylquinoline?
The InChIKey is IOLPNZZNWQPRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-8-3-4-11-9(5-8)6-10(7-13)12(14-11)15-2/h3-6H,7H2,1-2H3.
What are the key properties of 3-(bromomethyl)-2-methoxy-6-methylquinoline?
3-(bromomethyl)-2-methoxy-6-methylquinoline has a molecular weight of 266.14 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-methoxy-6-methylquinoline is sourced from PubChem (CID 123300243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).