5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine

C19H12ClFN4 — CID 154604318

IUPAC5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine
SMILESNc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H12ClFN4/c20-15-9-13(8-12-2-1-7-23-17(12)15)18-19(25-16(22)10-24-18)11-3-5-14(21)6-4-11/h1-10H,(H2,22,25)
InChIKeyGYWSXFRQJKGHKZ-UHFFFAOYSA-N
MW350.78 g/mol
LogP4.73
Rot. Bonds2

About 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine (PubChem CID 154604318) has the molecular formula C19H12ClFN4 and a molecular weight of 350.78 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine
PubChem CID154604318
Molecular FormulaC19H12ClFN4
Molecular Weight350.78 g/mol
Exact Mass350.07
IUPAC Name5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine
SMILESNc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H12ClFN4/c20-15-9-13(8-12-2-1-7-23-17(12)15)18-19(25-16(22)10-24-18)11-3-5-14(21)6-4-11/h1-10H,(H2,22,25)
InChIKeyGYWSXFRQJKGHKZ-UHFFFAOYSA-N
XLogP4.73
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine (CID 154604318) is 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine is Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine?
The InChIKey is GYWSXFRQJKGHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4/c20-15-9-13(8-12-2-1-7-23-17(12)15)18-19(25-16(22)10-24-18)11-3-5-14(21)6-4-11/h1-10H,(H2,22,25).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine has a molecular weight of 350.78 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine is sourced from PubChem (CID 154604318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).