8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine

C13H14BrFN2OS — CID 124848310

IUPAC8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine
SMILESC[C@H](C[S@@](C)=O)Nc1ccnc2c(Br)ccc(F)c12
InChIInChI=1S/C13H14BrFN2OS/c1-8(7-19(2)18)17-11-5-6-16-13-9(14)3-4-10(15)12(11)13/h3-6,8H,7H2,1-2H3,(H,16,17)/t8-,19-/m1/s1
InChIKeyMPDIIGYPLXJDFU-LILOVNGRSA-N
MW345.24 g/mol
LogP3.32
Rot. Bonds4

About 8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine

8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine (PubChem CID 124848310) has the molecular formula C13H14BrFN2OS and a molecular weight of 345.24 g/mol. Its IUPAC name is 8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine.

Molecular Properties

Compound Name8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine
PubChem CID124848310
Molecular FormulaC13H14BrFN2OS
Molecular Weight345.24 g/mol
Exact Mass344.00
IUPAC Name8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine
SMILESC[C@H](C[S@@](C)=O)Nc1ccnc2c(Br)ccc(F)c12
InChIInChI=1S/C13H14BrFN2OS/c1-8(7-19(2)18)17-11-5-6-16-13-9(14)3-4-10(15)12(11)13/h3-6,8H,7H2,1-2H3,(H,16,17)/t8-,19-/m1/s1
InChIKeyMPDIIGYPLXJDFU-LILOVNGRSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine?
The IUPAC name of 8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine (CID 124848310) is 8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine.
What is the SMILES notation for 8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine?
The canonical SMILES for 8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine is C[C@H](C[S@@](C)=O)Nc1ccnc2c(Br)ccc(F)c12.
What is the InChIKey of 8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine?
The InChIKey is MPDIIGYPLXJDFU-LILOVNGRSA-N. The full InChI is InChI=1S/C13H14BrFN2OS/c1-8(7-19(2)18)17-11-5-6-16-13-9(14)3-4-10(15)12(11)13/h3-6,8H,7H2,1-2H3,(H,16,17)/t8-,19-/m1/s1.
What are the key properties of 8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine?
8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine has a molecular weight of 345.24 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine is sourced from PubChem (CID 124848310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).