7-bromo-8-ethyl-2-methoxyquinoline

C12H12BrNO — CID 67131176

IUPAC7-bromo-8-ethyl-2-methoxyquinoline
SMILESCCc1c(Br)ccc2ccc(OC)nc12
InChIInChI=1S/C12H12BrNO/c1-3-9-10(13)6-4-8-5-7-11(15-2)14-12(8)9/h4-7H,3H2,1-2H3
InChIKeyZEDPWVFKHKRRCY-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.57
Rot. Bonds2

About 7-bromo-8-ethyl-2-methoxyquinoline

7-bromo-8-ethyl-2-methoxyquinoline (PubChem CID 67131176) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 7-bromo-8-ethyl-2-methoxyquinoline.

Molecular Properties

Compound Name7-bromo-8-ethyl-2-methoxyquinoline
PubChem CID67131176
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name7-bromo-8-ethyl-2-methoxyquinoline
SMILESCCc1c(Br)ccc2ccc(OC)nc12
InChIInChI=1S/C12H12BrNO/c1-3-9-10(13)6-4-8-5-7-11(15-2)14-12(8)9/h4-7H,3H2,1-2H3
InChIKeyZEDPWVFKHKRRCY-UHFFFAOYSA-N
XLogP3.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-ethyl-2-methoxyquinoline?
The IUPAC name of 7-bromo-8-ethyl-2-methoxyquinoline (CID 67131176) is 7-bromo-8-ethyl-2-methoxyquinoline.
What is the SMILES notation for 7-bromo-8-ethyl-2-methoxyquinoline?
The canonical SMILES for 7-bromo-8-ethyl-2-methoxyquinoline is CCc1c(Br)ccc2ccc(OC)nc12.
What is the InChIKey of 7-bromo-8-ethyl-2-methoxyquinoline?
The InChIKey is ZEDPWVFKHKRRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-3-9-10(13)6-4-8-5-7-11(15-2)14-12(8)9/h4-7H,3H2,1-2H3.
What are the key properties of 7-bromo-8-ethyl-2-methoxyquinoline?
7-bromo-8-ethyl-2-methoxyquinoline has a molecular weight of 266.14 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-ethyl-2-methoxyquinoline is sourced from PubChem (CID 67131176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).