3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine

C21H19ClN6O — CID 137430700

IUPAC3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(N3CC(N)C3)nc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C21H19ClN6O/c1-11-4-5-16(29-11)19-18(27-21(20(24)26-19)28-9-14(23)10-28)13-7-12-3-2-6-25-17(12)15(22)8-13/h2-8,14H,9-10,23H2,1H3,(H2,24,26)
InChIKeyRYSUSCOIMYLUJZ-UHFFFAOYSA-N
MW406.88 g/mol
LogP3.64
Rot. Bonds3

About 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine

3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine (PubChem CID 137430700) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine
PubChem CID137430700
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC Name3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(N3CC(N)C3)nc2-c2cc(Cl)c3ncccc3c2)o1
InChIInChI=1S/C21H19ClN6O/c1-11-4-5-16(29-11)19-18(27-21(20(24)26-19)28-9-14(23)10-28)13-7-12-3-2-6-25-17(12)15(22)8-13/h2-8,14H,9-10,23H2,1H3,(H2,24,26)
InChIKeyRYSUSCOIMYLUJZ-UHFFFAOYSA-N
XLogP3.64
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The IUPAC name of 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine (CID 137430700) is 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The canonical SMILES for 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine is Cc1ccc(-c2nc(N)c(N3CC(N)C3)nc2-c2cc(Cl)c3ncccc3c2)o1.
What is the InChIKey of 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The InChIKey is RYSUSCOIMYLUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O/c1-11-4-5-16(29-11)19-18(27-21(20(24)26-19)28-9-14(23)10-28)13-7-12-3-2-6-25-17(12)15(22)8-13/h2-8,14H,9-10,23H2,1H3,(H2,24,26).
What are the key properties of 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine?
3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine has a molecular weight of 406.88 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine is sourced from PubChem (CID 137430700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).