3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile

C₂₇H₂₀FN₅O — CID 158004215

About 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile

3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile (PubChem CID 158004215) has the molecular formula C₂₇H₂₀FN₅O and a molecular weight of 449.49 g/mol. Its IUPAC name is 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
• PubChem CID: 158004215
• Molecular Formula: C₂₇H₂₀FN₅O
• Molecular Weight: 449.49 g/mol
• Exact Mass: 449.17
• IUPAC Name: 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile
• SMILES: Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3nccc(CCc4ccc(F)cc4)c3c2)o1
• InChI: InChI=1S/C27H20FN5O/c1-16-2-11-24(34-16)26-25(32-23(15-29)27(30)33-26)19-7-10-22-21(14-19)18(12-13-31-22)6-3-17-4-8-20(28)9-5-17/h2,4-5,7-14H,3,6H2,1H3,(H2,30,33)
• InChIKey: FECAVJCQDLQIAK-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 101.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.49
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile?

The IUPAC name of 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile (CID 158004215) is 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile.

What is the SMILES notation for 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile?

The canonical SMILES for 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile is Cc1ccc(-c2nc(N)c(C#N)nc2-c2ccc3nccc(CCc4ccc(F)cc4)c3c2)o1.

What is the InChIKey of 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile?

The InChIKey is FECAVJCQDLQIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5O/c1-16-2-11-24(34-16)26-25(32-23(15-29)27(30)33-26)19-7-10-22-21(14-19)18(12-13-31-22)6-3-17-4-8-20(28)9-5-17/h2,4-5,7-14H,3,6H2,1H3,(H2,30,33).

What are the key properties of 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile?

3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile has a molecular weight of 449.49 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[4-[2-(4-fluorophenyl)ethyl]quinolin-6-yl]-5-(5-methylfuran-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 158004215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158004215 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.