6-bromo-4-chloro-3-ethyl-2-methylquinoline

C12H11BrClN — CID 790786

IUPAC6-bromo-4-chloro-3-ethyl-2-methylquinoline
SMILESCCc1c(C)nc2ccc(Br)cc2c1Cl
InChIInChI=1S/C12H11BrClN/c1-3-9-7(2)15-11-5-4-8(13)6-10(11)12(9)14/h4-6H,3H2,1-2H3
InChIKeyMIKLUCIWYBHFAU-UHFFFAOYSA-N
MW284.58 g/mol
LogP4.52
Rot. Bonds1

About 6-bromo-4-chloro-3-ethyl-2-methylquinoline

6-bromo-4-chloro-3-ethyl-2-methylquinoline (PubChem CID 790786) has the molecular formula C12H11BrClN and a molecular weight of 284.58 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-ethyl-2-methylquinoline.

Molecular Properties

Compound Name6-bromo-4-chloro-3-ethyl-2-methylquinoline
PubChem CID790786
Molecular FormulaC12H11BrClN
Molecular Weight284.58 g/mol
Exact Mass282.98
IUPAC Name6-bromo-4-chloro-3-ethyl-2-methylquinoline
SMILESCCc1c(C)nc2ccc(Br)cc2c1Cl
InChIInChI=1S/C12H11BrClN/c1-3-9-7(2)15-11-5-4-8(13)6-10(11)12(9)14/h4-6H,3H2,1-2H3
InChIKeyMIKLUCIWYBHFAU-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 6-bromo-4-chloro-3-ethyl-2-methylquinoline?
The IUPAC name of 6-bromo-4-chloro-3-ethyl-2-methylquinoline (CID 790786) is 6-bromo-4-chloro-3-ethyl-2-methylquinoline.
What is the SMILES notation for 6-bromo-4-chloro-3-ethyl-2-methylquinoline?
The canonical SMILES for 6-bromo-4-chloro-3-ethyl-2-methylquinoline is CCc1c(C)nc2ccc(Br)cc2c1Cl.
What is the InChIKey of 6-bromo-4-chloro-3-ethyl-2-methylquinoline?
The InChIKey is MIKLUCIWYBHFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN/c1-3-9-7(2)15-11-5-4-8(13)6-10(11)12(9)14/h4-6H,3H2,1-2H3.
What are the key properties of 6-bromo-4-chloro-3-ethyl-2-methylquinoline?
6-bromo-4-chloro-3-ethyl-2-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 6-bromo-4-chloro-3-ethyl-2-methylquinoline is sourced from PubChem (CID 790786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).