8-(chloromethyl)-7-methylquinoline

C11H10ClN — CID 165444274

IUPAC8-(chloromethyl)-7-methylquinoline
SMILESCc1ccc2cccnc2c1CCl
InChIInChI=1S/C11H10ClN/c1-8-4-5-9-3-2-6-13-11(9)10(8)7-12/h2-6H,7H2,1H3
InChIKeyQPPQZWGLMSUSKC-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.28
Rot. Bonds1

About 8-(chloromethyl)-7-methylquinoline

8-(chloromethyl)-7-methylquinoline (PubChem CID 165444274) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 8-(chloromethyl)-7-methylquinoline.

Molecular Properties

Compound Name8-(chloromethyl)-7-methylquinoline
PubChem CID165444274
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name8-(chloromethyl)-7-methylquinoline
SMILESCc1ccc2cccnc2c1CCl
InChIInChI=1S/C11H10ClN/c1-8-4-5-9-3-2-6-13-11(9)10(8)7-12/h2-6H,7H2,1H3
InChIKeyQPPQZWGLMSUSKC-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-(chloromethyl)-7-methylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,8-dimethylquinoline;ethane
CID 91494918
7-methyl-8-[(7-methylquinolin-8-yl)disulfanyl]quinoline
CID 90112553
7-methyl-8-propan-2-ylquinoline
CID 142451043
7-methyl-8-nitrosoquinoline
CID 88866337
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
CID 58385596
CID 58385596
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127

Frequently Asked Questions

What is the IUPAC name of 8-(chloromethyl)-7-methylquinoline?
The IUPAC name of 8-(chloromethyl)-7-methylquinoline (CID 165444274) is 8-(chloromethyl)-7-methylquinoline.
What is the SMILES notation for 8-(chloromethyl)-7-methylquinoline?
The canonical SMILES for 8-(chloromethyl)-7-methylquinoline is Cc1ccc2cccnc2c1CCl.
What is the InChIKey of 8-(chloromethyl)-7-methylquinoline?
The InChIKey is QPPQZWGLMSUSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c1-8-4-5-9-3-2-6-13-11(9)10(8)7-12/h2-6H,7H2,1H3.
What are the key properties of 8-(chloromethyl)-7-methylquinoline?
8-(chloromethyl)-7-methylquinoline has a molecular weight of 191.66 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(chloromethyl)-7-methylquinoline is sourced from PubChem (CID 165444274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).