5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide

C21H21FN6O3 — CID 177234480

About 5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide

5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide (PubChem CID 177234480) has the molecular formula C21H21FN6O3 and a molecular weight of 424.44 g/mol. Its IUPAC name is 5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide
• PubChem CID: 177234480
• Molecular Formula: C21H21FN6O3
• Molecular Weight: 424.44 g/mol
• Exact Mass: 424.17
• IUPAC Name: 5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide
• SMILES: CCc1nc2ccc(CN3CC=C(c4cnc(C(=O)NC)cn4)CO3)c(F)c2[nH]c1=O
• InChI: InChI=1S/C21H21FN6O3/c1-3-14-21(30)27-19-15(26-14)5-4-12(18(19)22)10-28-7-6-13(11-31-28)16-8-25-17(9-24-16)20(29)23-2/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,23,29)(H,27,30)
• InChIKey: WBRNQOJAZFIQNL-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.44
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide?

The IUPAC name of 5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide (CID 177234480) is 5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide.

What is the SMILES notation for 5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide?

The canonical SMILES for 5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide is CCc1nc2ccc(CN3CC=C(c4cnc(C(=O)NC)cn4)CO3)c(F)c2[nH]c1=O.

What is the InChIKey of 5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide?

The InChIKey is WBRNQOJAZFIQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O3/c1-3-14-21(30)27-19-15(26-14)5-4-12(18(19)22)10-28-7-6-13(11-31-28)16-8-25-17(9-24-16)20(29)23-2/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,23,29)(H,27,30).

What are the key properties of 5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide?

5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 177234480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).