8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine

C12H12BrFN2 — CID 63232269

IUPAC8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine
SMILESCC(C)c1cc2cc(F)cc(Br)c2nc1N
InChIInChI=1S/C12H12BrFN2/c1-6(2)9-4-7-3-8(14)5-10(13)11(7)16-12(9)15/h3-6H,1-2H3,(H2,15,16)
InChIKeyIVHDRUHAPXGXDR-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.84
Rot. Bonds1

About 8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine

8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine (PubChem CID 63232269) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine
PubChem CID63232269
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine
SMILESCC(C)c1cc2cc(F)cc(Br)c2nc1N
InChIInChI=1S/C12H12BrFN2/c1-6(2)9-4-7-3-8(14)5-10(13)11(7)16-12(9)15/h3-6H,1-2H3,(H2,15,16)
InChIKeyIVHDRUHAPXGXDR-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.84
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-propan-2-ylquinolin-2-amine?
The IUPAC name of 8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine (CID 63232269) is 8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine is CC(C)c1cc2cc(F)cc(Br)c2nc1N.
What is the InChIKey of 8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine?
The InChIKey is IVHDRUHAPXGXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c1-6(2)9-4-7-3-8(14)5-10(13)11(7)16-12(9)15/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine?
8-bromo-6-fluoro-3-propan-2-ylquinolin-2-amine has a molecular weight of 283.14 g/mol, XLogP of 3.84, 1 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-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63232269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).