4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline

C13H13ClFN — CID 103996076

IUPAC4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
SMILESCCc1c(C)nc2cc(F)c(C)cc2c1Cl
InChIInChI=1S/C13H13ClFN/c1-4-9-8(3)16-12-6-11(15)7(2)5-10(12)13(9)14/h5-6H,4H2,1-3H3
InChIKeyFFPSKYATFKGEEB-UHFFFAOYSA-N
MW237.70 g/mol
LogP4.21
Rot. Bonds1

About 4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline

4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline (PubChem CID 103996076) has the molecular formula C13H13ClFN and a molecular weight of 237.70 g/mol. Its IUPAC name is 4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline.

Molecular Properties

Compound Name4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
PubChem CID103996076
Molecular FormulaC13H13ClFN
Molecular Weight237.70 g/mol
Exact Mass237.07
IUPAC Name4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
SMILESCCc1c(C)nc2cc(F)c(C)cc2c1Cl
InChIInChI=1S/C13H13ClFN/c1-4-9-8(3)16-12-6-11(15)7(2)5-10(12)13(9)14/h5-6H,4H2,1-3H3
InChIKeyFFPSKYATFKGEEB-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.70
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline?
The IUPAC name of 4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline (CID 103996076) is 4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline.
What is the SMILES notation for 4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline?
The canonical SMILES for 4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline is CCc1c(C)nc2cc(F)c(C)cc2c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline?
The InChIKey is FFPSKYATFKGEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN/c1-4-9-8(3)16-12-6-11(15)7(2)5-10(12)13(9)14/h5-6H,4H2,1-3H3.
What are the key properties of 4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline?
4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline has a molecular weight of 237.70 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline is sourced from PubChem (CID 103996076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).