1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

C20H19ClN2O3 — CID 139393774

About 1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 139393774) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
• PubChem CID: 139393774
• Molecular Formula: C20H19ClN2O3
• Molecular Weight: 370.84 g/mol
• Exact Mass: 370.11
• IUPAC Name: 1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
• SMILES: CC(=O)N1c2ccccc2N(C(=O)C2Cc3cc(Cl)ccc3O2)C[C@@H]1C
• InChI: InChI=1S/C20H19ClN2O3/c1-12-11-22(16-5-3-4-6-17(16)23(12)13(2)24)20(25)19-10-14-9-15(21)7-8-18(14)26-19/h3-9,12,19H,10-11H2,1-2H3/t12-,19?/m0/s1
• InChIKey: XRGYNNLXHOPOKM-HSLMYDHPSA-N
• XLogP: 3.43
• TPSA: 49.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.84
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?

The IUPAC name of 1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 139393774) is 1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

What is the SMILES notation for 1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?

The canonical SMILES for 1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccccc2N(C(=O)C2Cc3cc(Cl)ccc3O2)C[C@@H]1C.

What is the InChIKey of 1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?

The InChIKey is XRGYNNLXHOPOKM-HSLMYDHPSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12-11-22(16-5-3-4-6-17(16)23(12)13(2)24)20(25)19-10-14-9-15(21)7-8-18(14)26-19/h3-9,12,19H,10-11H2,1-2H3/t12-,19?/m0/s1.

What are the key properties of 1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?

1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 370.84 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 139393774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).