5,8-dibromo-4-chloro-2-ethylquinoline

C11H8Br2ClN — CID 63408954

IUPAC5,8-dibromo-4-chloro-2-ethylquinoline
SMILESCCc1cc(Cl)c2c(Br)ccc(Br)c2n1
InChIInChI=1S/C11H8Br2ClN/c1-2-6-5-9(14)10-7(12)3-4-8(13)11(10)15-6/h3-5H,2H2,1H3
InChIKeySMDFCWWRUFKSOW-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.98
Rot. Bonds1

About 5,8-dibromo-4-chloro-2-ethylquinoline

5,8-dibromo-4-chloro-2-ethylquinoline (PubChem CID 63408954) has the molecular formula C11H8Br2ClN and a molecular weight of 349.45 g/mol. Its IUPAC name is 5,8-dibromo-4-chloro-2-ethylquinoline.

Molecular Properties

Compound Name5,8-dibromo-4-chloro-2-ethylquinoline
PubChem CID63408954
Molecular FormulaC11H8Br2ClN
Molecular Weight349.45 g/mol
Exact Mass346.87
IUPAC Name5,8-dibromo-4-chloro-2-ethylquinoline
SMILESCCc1cc(Cl)c2c(Br)ccc(Br)c2n1
InChIInChI=1S/C11H8Br2ClN/c1-2-6-5-9(14)10-7(12)3-4-8(13)11(10)15-6/h3-5H,2H2,1H3
InChIKeySMDFCWWRUFKSOW-UHFFFAOYSA-N
XLogP4.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-4-chloro-2-ethylquinoline?
The IUPAC name of 5,8-dibromo-4-chloro-2-ethylquinoline (CID 63408954) is 5,8-dibromo-4-chloro-2-ethylquinoline.
What is the SMILES notation for 5,8-dibromo-4-chloro-2-ethylquinoline?
The canonical SMILES for 5,8-dibromo-4-chloro-2-ethylquinoline is CCc1cc(Cl)c2c(Br)ccc(Br)c2n1.
What is the InChIKey of 5,8-dibromo-4-chloro-2-ethylquinoline?
The InChIKey is SMDFCWWRUFKSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClN/c1-2-6-5-9(14)10-7(12)3-4-8(13)11(10)15-6/h3-5H,2H2,1H3.
What are the key properties of 5,8-dibromo-4-chloro-2-ethylquinoline?
5,8-dibromo-4-chloro-2-ethylquinoline has a molecular weight of 349.45 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-4-chloro-2-ethylquinoline is sourced from PubChem (CID 63408954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).