3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine

C18H13FN4O — CID 137431557

IUPAC3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(F)nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C18H13FN4O/c1-10-4-7-14(24-10)16-15(22-17(19)18(20)23-16)12-5-6-13-11(9-12)3-2-8-21-13/h2-9H,1H3,(H2,20,23)
InChIKeyQVFWKGUBFGMJJB-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.98
Rot. Bonds2

About 3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine

3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 137431557) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
PubChem CID137431557
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(F)nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C18H13FN4O/c1-10-4-7-14(24-10)16-15(22-17(19)18(20)23-16)12-5-6-13-11(9-12)3-2-8-21-13/h2-9H,1H3,(H2,20,23)
InChIKeyQVFWKGUBFGMJJB-UHFFFAOYSA-N
XLogP3.98
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine (CID 137431557) is 3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine is Cc1ccc(-c2nc(N)c(F)nc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of 3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is QVFWKGUBFGMJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-10-4-7-14(24-10)16-15(22-17(19)18(20)23-16)12-5-6-13-11(9-12)3-2-8-21-13/h2-9H,1H3,(H2,20,23).
What are the key properties of 3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 320.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 137431557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).