4-bromo-8-fluoro-6-methoxyquinolin-3-amine

C10H8BrFN2O — CID 68576477

IUPAC4-bromo-8-fluoro-6-methoxyquinolin-3-amine
SMILESCOc1cc(F)c2ncc(N)c(Br)c2c1
InChIInChI=1S/C10H8BrFN2O/c1-15-5-2-6-9(11)8(13)4-14-10(6)7(12)3-5/h2-4H,13H2,1H3
InChIKeyHLVBSLZSPHXGSQ-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.73
Rot. Bonds1

About 4-bromo-8-fluoro-6-methoxyquinolin-3-amine

4-bromo-8-fluoro-6-methoxyquinolin-3-amine (PubChem CID 68576477) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 4-bromo-8-fluoro-6-methoxyquinolin-3-amine.

Molecular Properties

Compound Name4-bromo-8-fluoro-6-methoxyquinolin-3-amine
PubChem CID68576477
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name4-bromo-8-fluoro-6-methoxyquinolin-3-amine
SMILESCOc1cc(F)c2ncc(N)c(Br)c2c1
InChIInChI=1S/C10H8BrFN2O/c1-15-5-2-6-9(11)8(13)4-14-10(6)7(12)3-5/h2-4H,13H2,1H3
InChIKeyHLVBSLZSPHXGSQ-UHFFFAOYSA-N
XLogP2.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-fluoro-6-methoxyquinolin-3-amine?
The IUPAC name of 4-bromo-8-fluoro-6-methoxyquinolin-3-amine (CID 68576477) is 4-bromo-8-fluoro-6-methoxyquinolin-3-amine.
What is the SMILES notation for 4-bromo-8-fluoro-6-methoxyquinolin-3-amine?
The canonical SMILES for 4-bromo-8-fluoro-6-methoxyquinolin-3-amine is COc1cc(F)c2ncc(N)c(Br)c2c1.
What is the InChIKey of 4-bromo-8-fluoro-6-methoxyquinolin-3-amine?
The InChIKey is HLVBSLZSPHXGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-15-5-2-6-9(11)8(13)4-14-10(6)7(12)3-5/h2-4H,13H2,1H3.
What are the key properties of 4-bromo-8-fluoro-6-methoxyquinolin-3-amine?
4-bromo-8-fluoro-6-methoxyquinolin-3-amine has a molecular weight of 271.09 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-fluoro-6-methoxyquinolin-3-amine is sourced from PubChem (CID 68576477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).