7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline

C12H11BrFNO — CID 59393500

IUPAC7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline
SMILESCCc1cc2cc(F)c(Br)cc2nc1OC
InChIInChI=1S/C12H11BrFNO/c1-3-7-4-8-5-10(14)9(13)6-11(8)15-12(7)16-2/h4-6H,3H2,1-2H3
InChIKeyNNLGQKOKJBGUBK-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.71
Rot. Bonds2

About 7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline

7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline (PubChem CID 59393500) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is 7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline.

Molecular Properties

Compound Name7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline
PubChem CID59393500
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline
SMILESCCc1cc2cc(F)c(Br)cc2nc1OC
InChIInChI=1S/C12H11BrFNO/c1-3-7-4-8-5-10(14)9(13)6-11(8)15-12(7)16-2/h4-6H,3H2,1-2H3
InChIKeyNNLGQKOKJBGUBK-UHFFFAOYSA-N
XLogP3.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline?
The IUPAC name of 7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline (CID 59393500) is 7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline.
What is the SMILES notation for 7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline?
The canonical SMILES for 7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline is CCc1cc2cc(F)c(Br)cc2nc1OC.
What is the InChIKey of 7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline?
The InChIKey is NNLGQKOKJBGUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-3-7-4-8-5-10(14)9(13)6-11(8)15-12(7)16-2/h4-6H,3H2,1-2H3.
What are the key properties of 7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline?
7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline has a molecular weight of 284.13 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-ethyl-6-fluoro-2-methoxyquinoline is sourced from PubChem (CID 59393500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).