6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine

C14H16BrFN2O — CID 62319897

IUPAC6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
SMILESCCCNc1cc(COC)nc2c(F)cc(Br)cc12
InChIInChI=1S/C14H16BrFN2O/c1-3-4-17-13-7-10(8-19-2)18-14-11(13)5-9(15)6-12(14)16/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyAHHYCGQEGLMYHJ-UHFFFAOYSA-N
MW327.20 g/mol
LogP4.10
Rot. Bonds5

About 6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine

6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine (PubChem CID 62319897) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
PubChem CID62319897
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine
SMILESCCCNc1cc(COC)nc2c(F)cc(Br)cc12
InChIInChI=1S/C14H16BrFN2O/c1-3-4-17-13-7-10(8-19-2)18-14-11(13)5-9(15)6-12(14)16/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyAHHYCGQEGLMYHJ-UHFFFAOYSA-N
XLogP4.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine?
The IUPAC name of 6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine (CID 62319897) is 6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine.
What is the SMILES notation for 6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine?
The canonical SMILES for 6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine is CCCNc1cc(COC)nc2c(F)cc(Br)cc12.
What is the InChIKey of 6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine?
The InChIKey is AHHYCGQEGLMYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-3-4-17-13-7-10(8-19-2)18-14-11(13)5-9(15)6-12(14)16/h5-7H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine?
6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine has a molecular weight of 327.20 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-2-(methoxymethyl)-N-propylquinolin-4-amine is sourced from PubChem (CID 62319897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).