8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine

C11H10BrFN2 — CID 63232314

IUPAC8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine
SMILESCNc1nc2c(Br)cc(F)cc2cc1C
InChIInChI=1S/C11H10BrFN2/c1-6-3-7-4-8(13)5-9(12)10(7)15-11(6)14-2/h3-5H,1-2H3,(H,14,15)
InChIKeyNSEMSWOPQWUFPO-UHFFFAOYSA-N
MW269.12 g/mol
LogP3.49
Rot. Bonds1

About 8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine

8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine (PubChem CID 63232314) has the molecular formula C11H10BrFN2 and a molecular weight of 269.12 g/mol. Its IUPAC name is 8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine.

Molecular Properties

Compound Name8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine
PubChem CID63232314
Molecular FormulaC11H10BrFN2
Molecular Weight269.12 g/mol
Exact Mass268.00
IUPAC Name8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine
SMILESCNc1nc2c(Br)cc(F)cc2cc1C
InChIInChI=1S/C11H10BrFN2/c1-6-3-7-4-8(13)5-9(12)10(7)15-11(6)14-2/h3-5H,1-2H3,(H,14,15)
InChIKeyNSEMSWOPQWUFPO-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 53.49
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-N,3-dimethylquinolin-2-amine?
The IUPAC name of 8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine (CID 63232314) is 8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine.
What is the SMILES notation for 8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine?
The canonical SMILES for 8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine is CNc1nc2c(Br)cc(F)cc2cc1C.
What is the InChIKey of 8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine?
The InChIKey is NSEMSWOPQWUFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2/c1-6-3-7-4-8(13)5-9(12)10(7)15-11(6)14-2/h3-5H,1-2H3,(H,14,15).
What are the key properties of 8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine?
8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine has a molecular weight of 269.12 g/mol, XLogP of 3.49, 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-N,3-dimethylquinolin-2-amine is sourced from PubChem (CID 63232314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).