8-bromo-6-fluoro-3-propylquinolin-2-amine

C12H12BrFN2 — CID 63232266

IUPAC8-bromo-6-fluoro-3-propylquinolin-2-amine
SMILESCCCc1cc2cc(F)cc(Br)c2nc1N
InChIInChI=1S/C12H12BrFN2/c1-2-3-7-4-8-5-9(14)6-10(13)11(8)16-12(7)15/h4-6H,2-3H2,1H3,(H2,15,16)
InChIKeyXREYIJSVSBIFOA-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.67
Rot. Bonds2

About 8-bromo-6-fluoro-3-propylquinolin-2-amine

8-bromo-6-fluoro-3-propylquinolin-2-amine (PubChem CID 63232266) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 8-bromo-6-fluoro-3-propylquinolin-2-amine.

Molecular Properties

Compound Name8-bromo-6-fluoro-3-propylquinolin-2-amine
PubChem CID63232266
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name8-bromo-6-fluoro-3-propylquinolin-2-amine
SMILESCCCc1cc2cc(F)cc(Br)c2nc1N
InChIInChI=1S/C12H12BrFN2/c1-2-3-7-4-8-5-9(14)6-10(13)11(8)16-12(7)15/h4-6H,2-3H2,1H3,(H2,15,16)
InChIKeyXREYIJSVSBIFOA-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-3-propylquinolin-2-amine?
The IUPAC name of 8-bromo-6-fluoro-3-propylquinolin-2-amine (CID 63232266) is 8-bromo-6-fluoro-3-propylquinolin-2-amine.
What is the SMILES notation for 8-bromo-6-fluoro-3-propylquinolin-2-amine?
The canonical SMILES for 8-bromo-6-fluoro-3-propylquinolin-2-amine is CCCc1cc2cc(F)cc(Br)c2nc1N.
What is the InChIKey of 8-bromo-6-fluoro-3-propylquinolin-2-amine?
The InChIKey is XREYIJSVSBIFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c1-2-3-7-4-8-5-9(14)6-10(13)11(8)16-12(7)15/h4-6H,2-3H2,1H3,(H2,15,16).
What are the key properties of 8-bromo-6-fluoro-3-propylquinolin-2-amine?
8-bromo-6-fluoro-3-propylquinolin-2-amine has a molecular weight of 283.14 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-3-propylquinolin-2-amine is sourced from PubChem (CID 63232266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).