4-chloro-5-fluoro-3,8-dimethylquinoline

C11H9ClFN — CID 171373227

IUPAC4-chloro-5-fluoro-3,8-dimethylquinoline
SMILESCc1cnc2c(C)ccc(F)c2c1Cl
InChIInChI=1S/C11H9ClFN/c1-6-3-4-8(13)9-10(12)7(2)5-14-11(6)9/h3-5H,1-2H3
InChIKeyZBCPVCIGEFDVHA-UHFFFAOYSA-N
MW209.65 g/mol
LogP3.64
Rot. Bonds

About 4-chloro-5-fluoro-3,8-dimethylquinoline

4-chloro-5-fluoro-3,8-dimethylquinoline (PubChem CID 171373227) has the molecular formula C11H9ClFN and a molecular weight of 209.65 g/mol. Its IUPAC name is 4-chloro-5-fluoro-3,8-dimethylquinoline.

Molecular Properties

Compound Name4-chloro-5-fluoro-3,8-dimethylquinoline
PubChem CID171373227
Molecular FormulaC11H9ClFN
Molecular Weight209.65 g/mol
Exact Mass209.04
IUPAC Name4-chloro-5-fluoro-3,8-dimethylquinoline
SMILESCc1cnc2c(C)ccc(F)c2c1Cl
InChIInChI=1S/C11H9ClFN/c1-6-3-4-8(13)9-10(12)7(2)5-14-11(6)9/h3-5H,1-2H3
InChIKeyZBCPVCIGEFDVHA-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-3,8-dimethylquinoline?
The IUPAC name of 4-chloro-5-fluoro-3,8-dimethylquinoline (CID 171373227) is 4-chloro-5-fluoro-3,8-dimethylquinoline.
What is the SMILES notation for 4-chloro-5-fluoro-3,8-dimethylquinoline?
The canonical SMILES for 4-chloro-5-fluoro-3,8-dimethylquinoline is Cc1cnc2c(C)ccc(F)c2c1Cl.
What is the InChIKey of 4-chloro-5-fluoro-3,8-dimethylquinoline?
The InChIKey is ZBCPVCIGEFDVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN/c1-6-3-4-8(13)9-10(12)7(2)5-14-11(6)9/h3-5H,1-2H3.
What are the key properties of 4-chloro-5-fluoro-3,8-dimethylquinoline?
4-chloro-5-fluoro-3,8-dimethylquinoline has a molecular weight of 209.65 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-3,8-dimethylquinoline is sourced from PubChem (CID 171373227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).