8-(3-chloro-4-fluorophenyl)-6-methylquinoline

C16H11ClFN — CID 15295268

IUPAC8-(3-chloro-4-fluorophenyl)-6-methylquinoline
SMILESCc1cc(-c2ccc(F)c(Cl)c2)c2ncccc2c1
InChIInChI=1S/C16H11ClFN/c1-10-7-12-3-2-6-19-16(12)13(8-10)11-4-5-15(18)14(17)9-11/h2-9H,1H3
InChIKeyLYENXUMDGJTSSO-UHFFFAOYSA-N
MW271.72 g/mol
LogP5.00
Rot. Bonds1

About 8-(3-chloro-4-fluorophenyl)-6-methylquinoline

8-(3-chloro-4-fluorophenyl)-6-methylquinoline (PubChem CID 15295268) has the molecular formula C16H11ClFN and a molecular weight of 271.72 g/mol. Its IUPAC name is 8-(3-chloro-4-fluorophenyl)-6-methylquinoline.

Molecular Properties

Compound Name8-(3-chloro-4-fluorophenyl)-6-methylquinoline
PubChem CID15295268
Molecular FormulaC16H11ClFN
Molecular Weight271.72 g/mol
Exact Mass271.06
IUPAC Name8-(3-chloro-4-fluorophenyl)-6-methylquinoline
SMILESCc1cc(-c2ccc(F)c(Cl)c2)c2ncccc2c1
InChIInChI=1S/C16H11ClFN/c1-10-7-12-3-2-6-19-16(12)13(8-10)11-4-5-15(18)14(17)9-11/h2-9H,1H3
InChIKeyLYENXUMDGJTSSO-UHFFFAOYSA-N
XLogP5.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.72
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-(3-chloro-4-fluorophenyl)-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 8-(3-chloro-4-fluorophenyl)-6-methylquinoline?
The IUPAC name of 8-(3-chloro-4-fluorophenyl)-6-methylquinoline (CID 15295268) is 8-(3-chloro-4-fluorophenyl)-6-methylquinoline.
What is the SMILES notation for 8-(3-chloro-4-fluorophenyl)-6-methylquinoline?
The canonical SMILES for 8-(3-chloro-4-fluorophenyl)-6-methylquinoline is Cc1cc(-c2ccc(F)c(Cl)c2)c2ncccc2c1.
What is the InChIKey of 8-(3-chloro-4-fluorophenyl)-6-methylquinoline?
The InChIKey is LYENXUMDGJTSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN/c1-10-7-12-3-2-6-19-16(12)13(8-10)11-4-5-15(18)14(17)9-11/h2-9H,1H3.
What are the key properties of 8-(3-chloro-4-fluorophenyl)-6-methylquinoline?
8-(3-chloro-4-fluorophenyl)-6-methylquinoline has a molecular weight of 271.72 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-fluorophenyl)-6-methylquinoline is sourced from PubChem (CID 15295268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).