7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide

C23H23FN4O2 — CID 112841648

About 7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide

7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide (PubChem CID 112841648) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
• PubChem CID: 112841648
• Molecular Formula: C23H23FN4O2
• Molecular Weight: 406.46 g/mol
• Exact Mass: 406.18
• IUPAC Name: 7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
• SMILES: Cc1nc2cc(F)cc(C(=O)NCc3cccc(CN4CCCC4=O)c3)c2nc1C
• InChI: InChI=1S/C23H23FN4O2/c1-14-15(2)27-22-19(10-18(24)11-20(22)26-14)23(30)25-12-16-5-3-6-17(9-16)13-28-8-4-7-21(28)29/h3,5-6,9-11H,4,7-8,12-13H2,1-2H3,(H,25,30)
• InChIKey: OSUZVXUSMKZNRJ-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.46
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide?

The IUPAC name of 7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide (CID 112841648) is 7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide.

What is the SMILES notation for 7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide?

The canonical SMILES for 7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide is Cc1nc2cc(F)cc(C(=O)NCc3cccc(CN4CCCC4=O)c3)c2nc1C.

What is the InChIKey of 7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide?

The InChIKey is OSUZVXUSMKZNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-14-15(2)27-22-19(10-18(24)11-20(22)26-14)23(30)25-12-16-5-3-6-17(9-16)13-28-8-4-7-21(28)29/h3,5-6,9-11H,4,7-8,12-13H2,1-2H3,(H,25,30).

What are the key properties of 7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide?

7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 112841648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).