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

C13H14BrFN2 — CID 63526300

IUPAC6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine
SMILESCCCc1cc2cc(Br)cc(F)c2nc1NC
InChIInChI=1S/C13H14BrFN2/c1-3-4-8-5-9-6-10(14)7-11(15)12(9)17-13(8)16-2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyHBCWVZKJCCTOGF-UHFFFAOYSA-N
MW297.17 g/mol
LogP4.13
Rot. Bonds3

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

6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine (PubChem CID 63526300) has the molecular formula C13H14BrFN2 and a molecular weight of 297.17 g/mol. Its IUPAC name is 6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine
PubChem CID63526300
Molecular FormulaC13H14BrFN2
Molecular Weight297.17 g/mol
Exact Mass296.03
IUPAC Name6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine
SMILESCCCc1cc2cc(Br)cc(F)c2nc1NC
InChIInChI=1S/C13H14BrFN2/c1-3-4-8-5-9-6-10(14)7-11(15)12(9)17-13(8)16-2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyHBCWVZKJCCTOGF-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine?
The IUPAC name of 6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine (CID 63526300) is 6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine.
What is the SMILES notation for 6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine?
The canonical SMILES for 6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine is CCCc1cc2cc(Br)cc(F)c2nc1NC.
What is the InChIKey of 6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine?
The InChIKey is HBCWVZKJCCTOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2/c1-3-4-8-5-9-6-10(14)7-11(15)12(9)17-13(8)16-2/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine?
6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine has a molecular weight of 297.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-N-methyl-3-propylquinolin-2-amine is sourced from PubChem (CID 63526300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).