5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine

C26H19ClFN5O — CID 154604587

IUPAC5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine
SMILESCC(Oc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1
InChIInChI=1S/C26H19ClFN5O/c1-15(21-6-2-3-11-30-21)34-26-25(29)32-23(16-7-9-19(28)10-8-16)24(33-26)18-13-17-5-4-12-31-22(17)20(27)14-18/h2-15H,1H3,(H2,29,32)
InChIKeyGIMODKQWZPXQEW-UHFFFAOYSA-N
MW471.92 g/mol
LogP6.27
Rot. Bonds5

About 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine (PubChem CID 154604587) has the molecular formula C26H19ClFN5O and a molecular weight of 471.92 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine
PubChem CID154604587
Molecular FormulaC26H19ClFN5O
Molecular Weight471.92 g/mol
Exact Mass471.13
IUPAC Name5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine
SMILESCC(Oc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1
InChIInChI=1S/C26H19ClFN5O/c1-15(21-6-2-3-11-30-21)34-26-25(29)32-23(16-7-9-19(28)10-8-16)24(33-26)18-13-17-5-4-12-31-22(17)20(27)14-18/h2-15H,1H3,(H2,29,32)
InChIKeyGIMODKQWZPXQEW-UHFFFAOYSA-N
XLogP6.27
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.92
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine (CID 154604587) is 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine is CC(Oc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine?
The InChIKey is GIMODKQWZPXQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5O/c1-15(21-6-2-3-11-30-21)34-26-25(29)32-23(16-7-9-19(28)10-8-16)24(33-26)18-13-17-5-4-12-31-22(17)20(27)14-18/h2-15H,1H3,(H2,29,32).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine has a molecular weight of 471.92 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine is sourced from PubChem (CID 154604587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).