5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine

C19H12ClFN4 — CID 137430247

IUPAC5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1F
InChIInChI=1S/C19H12ClFN4/c20-14-10-13(9-12-7-4-8-23-15(12)14)17-16(11-5-2-1-3-6-11)25-19(22)18(21)24-17/h1-10H,(H2,22,25)
InChIKeyKLQWOGRRNGDWRP-UHFFFAOYSA-N
MW350.78 g/mol
LogP4.73
Rot. Bonds2

About 5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine (PubChem CID 137430247) has the molecular formula C19H12ClFN4 and a molecular weight of 350.78 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine
PubChem CID137430247
Molecular FormulaC19H12ClFN4
Molecular Weight350.78 g/mol
Exact Mass350.07
IUPAC Name5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1F
InChIInChI=1S/C19H12ClFN4/c20-14-10-13(9-12-7-4-8-23-15(12)14)17-16(11-5-2-1-3-6-11)25-19(22)18(21)24-17/h1-10H,(H2,22,25)
InChIKeyKLQWOGRRNGDWRP-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)-3-fluoro-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine (CID 137430247) is 5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1F.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine?
The InChIKey is KLQWOGRRNGDWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4/c20-14-10-13(9-12-7-4-8-23-15(12)14)17-16(11-5-2-1-3-6-11)25-19(22)18(21)24-17/h1-10H,(H2,22,25).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-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)-3-fluoro-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137430247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).