1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone

C24H24N4O3 — CID 146226539

About 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone

1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 146226539) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
• PubChem CID: 146226539
• Molecular Formula: C24H24N4O3
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.18
• IUPAC Name: 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
• SMILES: CC(=O)N1c2ccc(-c3cccc4c3N(C)NC4)cc2N(C(=O)c2ccco2)C[C@@H]1C
• InChI: InChI=1S/C24H24N4O3/c1-15-14-27(24(30)22-8-5-11-31-22)21-12-17(9-10-20(21)28(15)16(2)29)19-7-4-6-18-13-25-26(3)23(18)19/h4-12,15,25H,13-14H2,1-3H3/t15-/m0/s1
• InChIKey: BUYQAJJUKAAJKB-HNNXBMFYSA-N
• XLogP: 3.80
• TPSA: 69.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?

The IUPAC name of 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone (CID 146226539) is 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone.

What is the SMILES notation for 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?

The canonical SMILES for 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cccc4c3N(C)NC4)cc2N(C(=O)c2ccco2)C[C@@H]1C.

What is the InChIKey of 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?

The InChIKey is BUYQAJJUKAAJKB-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-14-27(24(30)22-8-5-11-31-22)21-12-17(9-10-20(21)28(15)16(2)29)19-7-4-6-18-13-25-26(3)23(18)19/h4-12,15,25H,13-14H2,1-3H3/t15-/m0/s1.

What are the key properties of 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?

1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 416.48 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methyl-2,3-dihydroindazol-7-yl)-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 146226539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).