3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine

C24H17FN4O2 — CID 137430207

IUPAC3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(Oc3ccc(F)cc3)nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C24H17FN4O2/c1-14-4-11-20(30-14)22-21(16-5-10-19-15(13-16)3-2-12-27-19)29-24(23(26)28-22)31-18-8-6-17(25)7-9-18/h2-13H,1H3,(H2,26,28)
InChIKeyQHZHCNAMIUHODI-UHFFFAOYSA-N
MW412.42 g/mol
LogP5.77
Rot. Bonds4

About 3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine

3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 137430207) has the molecular formula C24H17FN4O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
PubChem CID137430207
Molecular FormulaC24H17FN4O2
Molecular Weight412.42 g/mol
Exact Mass412.13
IUPAC Name3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(Oc3ccc(F)cc3)nc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C24H17FN4O2/c1-14-4-11-20(30-14)22-21(16-5-10-19-15(13-16)3-2-12-27-19)29-24(23(26)28-22)31-18-8-6-17(25)7-9-18/h2-13H,1H3,(H2,26,28)
InChIKeyQHZHCNAMIUHODI-UHFFFAOYSA-N
XLogP5.77
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine (CID 137430207) is 3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine is Cc1ccc(-c2nc(N)c(Oc3ccc(F)cc3)nc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of 3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is QHZHCNAMIUHODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2/c1-14-4-11-20(30-14)22-21(16-5-10-19-15(13-16)3-2-12-27-19)29-24(23(26)28-22)31-18-8-6-17(25)7-9-18/h2-13H,1H3,(H2,26,28).
What are the key properties of 3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 412.42 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 137430207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).