4-chloro-2-ethyl-6,8-dimethylquinoline

C13H14ClN — CID 43668504

IUPAC4-chloro-2-ethyl-6,8-dimethylquinoline
SMILESCCc1cc(Cl)c2cc(C)cc(C)c2n1
InChIInChI=1S/C13H14ClN/c1-4-10-7-12(14)11-6-8(2)5-9(3)13(11)15-10/h5-7H,4H2,1-3H3
InChIKeyIEAWCQMSUIBMLV-UHFFFAOYSA-N
MW219.71 g/mol
LogP4.07
Rot. Bonds1

About 4-chloro-2-ethyl-6,8-dimethylquinoline

4-chloro-2-ethyl-6,8-dimethylquinoline (PubChem CID 43668504) has the molecular formula C13H14ClN and a molecular weight of 219.71 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6,8-dimethylquinoline.

Molecular Properties

Compound Name4-chloro-2-ethyl-6,8-dimethylquinoline
PubChem CID43668504
Molecular FormulaC13H14ClN
Molecular Weight219.71 g/mol
Exact Mass219.08
IUPAC Name4-chloro-2-ethyl-6,8-dimethylquinoline
SMILESCCc1cc(Cl)c2cc(C)cc(C)c2n1
InChIInChI=1S/C13H14ClN/c1-4-10-7-12(14)11-6-8(2)5-9(3)13(11)15-10/h5-7H,4H2,1-3H3
InChIKeyIEAWCQMSUIBMLV-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6,8-dimethylquinoline?
The IUPAC name of 4-chloro-2-ethyl-6,8-dimethylquinoline (CID 43668504) is 4-chloro-2-ethyl-6,8-dimethylquinoline.
What is the SMILES notation for 4-chloro-2-ethyl-6,8-dimethylquinoline?
The canonical SMILES for 4-chloro-2-ethyl-6,8-dimethylquinoline is CCc1cc(Cl)c2cc(C)cc(C)c2n1.
What is the InChIKey of 4-chloro-2-ethyl-6,8-dimethylquinoline?
The InChIKey is IEAWCQMSUIBMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-4-10-7-12(14)11-6-8(2)5-9(3)13(11)15-10/h5-7H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-6,8-dimethylquinoline?
4-chloro-2-ethyl-6,8-dimethylquinoline has a molecular weight of 219.71 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6,8-dimethylquinoline is sourced from PubChem (CID 43668504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).