N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H17FN2O5 — CID 131942232

About N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 131942232) has the molecular formula C20H17FN2O5 and a molecular weight of 384.36 g/mol. Its IUPAC name is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 131942232
• Molecular Formula: C20H17FN2O5
• Molecular Weight: 384.36 g/mol
• Exact Mass: 384.11
• IUPAC Name: N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: CC(=O)c1cc2c(cc1NC(=O)C1CC(=O)Nc3ccc(F)cc31)OCCO2
• InChI: InChI=1S/C20H17FN2O5/c1-10(24)12-7-17-18(28-5-4-27-17)9-16(12)23-20(26)14-8-19(25)22-15-3-2-11(21)6-13(14)15/h2-3,6-7,9,14H,4-5,8H2,1H3,(H,22,25)(H,23,26)
• InChIKey: RSKGIBFPNULCBW-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 93.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.36
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 131942232) is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

What is the SMILES notation for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The canonical SMILES for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC(=O)c1cc2c(cc1NC(=O)C1CC(=O)Nc3ccc(F)cc31)OCCO2.

What is the InChIKey of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The InChIKey is RSKGIBFPNULCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5/c1-10(24)12-7-17-18(28-5-4-27-17)9-16(12)23-20(26)14-8-19(25)22-15-3-2-11(21)6-13(14)15/h2-3,6-7,9,14H,4-5,8H2,1H3,(H,22,25)(H,23,26).

What are the key properties of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 131942232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).