5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine

C11H10BrFN2O — CID 62318408

IUPAC5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCOCc1cc(N)c2c(Br)ccc(F)c2n1
InChIInChI=1S/C11H10BrFN2O/c1-16-5-6-4-9(14)10-7(12)2-3-8(13)11(10)15-6/h2-4H,5H2,1H3,(H2,14,15)
InChIKeyWKQUCIIWKYSEDT-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.87
Rot. Bonds2

About 5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine

5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine (PubChem CID 62318408) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine
PubChem CID62318408
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCOCc1cc(N)c2c(Br)ccc(F)c2n1
InChIInChI=1S/C11H10BrFN2O/c1-16-5-6-4-9(14)10-7(12)2-3-8(13)11(10)15-6/h2-4H,5H2,1H3,(H2,14,15)
InChIKeyWKQUCIIWKYSEDT-UHFFFAOYSA-N
XLogP2.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine?
The IUPAC name of 5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine (CID 62318408) is 5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine.
What is the SMILES notation for 5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine?
The canonical SMILES for 5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine is COCc1cc(N)c2c(Br)ccc(F)c2n1.
What is the InChIKey of 5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine?
The InChIKey is WKQUCIIWKYSEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-16-5-6-4-9(14)10-7(12)2-3-8(13)11(10)15-6/h2-4H,5H2,1H3,(H2,14,15).
What are the key properties of 5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine?
5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine has a molecular weight of 285.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-amine is sourced from PubChem (CID 62318408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).