1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione

C22H20FN3O3 — CID 51370071

About 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione

1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione (PubChem CID 51370071) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione.

Molecular Properties

• Compound Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
• PubChem CID: 51370071
• Molecular Formula: C22H20FN3O3
• Molecular Weight: 393.42 g/mol
• Exact Mass: 393.15
• IUPAC Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
• SMILES: Cc1ccc(F)cc1-n1ccn(CC(=O)N2CCCc3ccccc32)c(=O)c1=O
• InChI: InChI=1S/C22H20FN3O3/c1-15-8-9-17(23)13-19(15)26-12-11-24(21(28)22(26)29)14-20(27)25-10-4-6-16-5-2-3-7-18(16)25/h2-3,5,7-9,11-13H,4,6,10,14H2,1H3
• InChIKey: FODUJSNSISVECZ-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 64.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.42
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione?

The IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione (CID 51370071) is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione.

What is the SMILES notation for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione?

The canonical SMILES for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione is Cc1ccc(F)cc1-n1ccn(CC(=O)N2CCCc3ccccc32)c(=O)c1=O.

What is the InChIKey of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione?

The InChIKey is FODUJSNSISVECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-15-8-9-17(23)13-19(15)26-12-11-24(21(28)22(26)29)14-20(27)25-10-4-6-16-5-2-3-7-18(16)25/h2-3,5,7-9,11-13H,4,6,10,14H2,1H3.

What are the key properties of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione?

1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione has a molecular weight of 393.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione is sourced from PubChem (CID 51370071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).