N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

C21H16ClN3O4 — CID 1285368

About N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 1285368) has the molecular formula C21H16ClN3O4 and a molecular weight of 409.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
• PubChem CID: 1285368
• Molecular Formula: C21H16ClN3O4
• Molecular Weight: 409.83 g/mol
• Exact Mass: 409.08
• IUPAC Name: N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
• SMILES: O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccco1)Nc1cccc(Cl)c1
• InChI: InChI=1S/C21H16ClN3O4/c22-13-5-3-6-14(11-13)23-19(26)12-17-20(27)24-15-7-1-2-8-16(15)25(17)21(28)18-9-4-10-29-18/h1-11,17H,12H2,(H,23,26)(H,24,27)/t17-/m0/s1
• InChIKey: PVVGDVGJEUCVOG-KRWDZBQOSA-N
• XLogP: 3.93
• TPSA: 91.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.83
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

The IUPAC name of N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 1285368) is N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

What is the SMILES notation for N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

The canonical SMILES for N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccco1)Nc1cccc(Cl)c1.

What is the InChIKey of N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

The InChIKey is PVVGDVGJEUCVOG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H16ClN3O4/c22-13-5-3-6-14(11-13)23-19(26)12-17-20(27)24-15-7-1-2-8-16(15)25(17)21(28)18-9-4-10-29-18/h1-11,17H,12H2,(H,23,26)(H,24,27)/t17-/m0/s1.

What are the key properties of N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 409.83 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 1285368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).