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

C13H14BrFN2O — CID 55062588

IUPAC5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2c(F)ccc(Br)c12
InChIInChI=1S/C13H14BrFN2O/c1-3-16-11-6-8(7-18-2)17-13-10(15)5-4-9(14)12(11)13/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyDOGPDTCOADREFJ-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.71
Rot. Bonds4

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

5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine (PubChem CID 55062588) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is 5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
PubChem CID55062588
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
SMILESCCNc1cc(COC)nc2c(F)ccc(Br)c12
InChIInChI=1S/C13H14BrFN2O/c1-3-16-11-6-8(7-18-2)17-13-10(15)5-4-9(14)12(11)13/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyDOGPDTCOADREFJ-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine (CID 55062588) is 5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine is CCNc1cc(COC)nc2c(F)ccc(Br)c12.
What is the InChIKey of 5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine?
The InChIKey is DOGPDTCOADREFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-3-16-11-6-8(7-18-2)17-13-10(15)5-4-9(14)12(11)13/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine?
5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine has a molecular weight of 313.17 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine is sourced from PubChem (CID 55062588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).