2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide

C18H18FN3O2 — CID 776317

About 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide

2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 776317) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
• PubChem CID: 776317
• Molecular Formula: C18H18FN3O2
• Molecular Weight: 327.36 g/mol
• Exact Mass: 327.14
• IUPAC Name: 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
• SMILES: Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccccc1F)C(=O)N2
• InChI: InChI=1S/C18H18FN3O2/c1-10-7-14-15(8-11(10)2)22-18(24)16(20-14)9-17(23)21-13-6-4-3-5-12(13)19/h3-8,16,20H,9H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1
• InChIKey: RZJMPAHZWCZZGH-INIZCTEOSA-N
• XLogP: 3.20
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.36
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide?

The IUPAC name of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide (CID 776317) is 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide.

What is the SMILES notation for 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide?

The canonical SMILES for 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide is Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccccc1F)C(=O)N2.

What is the InChIKey of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide?

The InChIKey is RZJMPAHZWCZZGH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-10-7-14-15(8-11(10)2)22-18(24)16(20-14)9-17(23)21-13-6-4-3-5-12(13)19/h3-8,16,20H,9H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1.

What are the key properties of 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide?

2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 776317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).