8-bromo-4-chloro-2-ethyl-5-methylquinoline

C12H11BrClN — CID 82766813

IUPAC8-bromo-4-chloro-2-ethyl-5-methylquinoline
SMILESCCc1cc(Cl)c2c(C)ccc(Br)c2n1
InChIInChI=1S/C12H11BrClN/c1-3-8-6-10(14)11-7(2)4-5-9(13)12(11)15-8/h4-6H,3H2,1-2H3
InChIKeyRHOCTOWEQCVXHN-UHFFFAOYSA-N
MW284.58 g/mol
LogP4.52
Rot. Bonds1

About 8-bromo-4-chloro-2-ethyl-5-methylquinoline

8-bromo-4-chloro-2-ethyl-5-methylquinoline (PubChem CID 82766813) has the molecular formula C12H11BrClN and a molecular weight of 284.58 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-ethyl-5-methylquinoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-ethyl-5-methylquinoline
PubChem CID82766813
Molecular FormulaC12H11BrClN
Molecular Weight284.58 g/mol
Exact Mass282.98
IUPAC Name8-bromo-4-chloro-2-ethyl-5-methylquinoline
SMILESCCc1cc(Cl)c2c(C)ccc(Br)c2n1
InChIInChI=1S/C12H11BrClN/c1-3-8-6-10(14)11-7(2)4-5-9(13)12(11)15-8/h4-6H,3H2,1-2H3
InChIKeyRHOCTOWEQCVXHN-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.58
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-2-ethyl-5-methylquinoline?
The IUPAC name of 8-bromo-4-chloro-2-ethyl-5-methylquinoline (CID 82766813) is 8-bromo-4-chloro-2-ethyl-5-methylquinoline.
What is the SMILES notation for 8-bromo-4-chloro-2-ethyl-5-methylquinoline?
The canonical SMILES for 8-bromo-4-chloro-2-ethyl-5-methylquinoline is CCc1cc(Cl)c2c(C)ccc(Br)c2n1.
What is the InChIKey of 8-bromo-4-chloro-2-ethyl-5-methylquinoline?
The InChIKey is RHOCTOWEQCVXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN/c1-3-8-6-10(14)11-7(2)4-5-9(13)12(11)15-8/h4-6H,3H2,1-2H3.
What are the key properties of 8-bromo-4-chloro-2-ethyl-5-methylquinoline?
8-bromo-4-chloro-2-ethyl-5-methylquinoline has a molecular weight of 284.58 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-2-ethyl-5-methylquinoline is sourced from PubChem (CID 82766813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).