7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid

C25H24FN3O6S — CID 56656346

About 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid

7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid (PubChem CID 56656346) has the molecular formula C25H24FN3O6S and a molecular weight of 513.55 g/mol. Its IUPAC name is 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid.

Molecular Properties

• Compound Name: 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid
• PubChem CID: 56656346
• Molecular Formula: C25H24FN3O6S
• Molecular Weight: 513.55 g/mol
• Exact Mass: 513.14
• IUPAC Name: 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid
• SMILES: CCN(CC)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c([nH]c(=O)c3occc32)c1C(=O)O
• InChI: InChI=1S/C25H24FN3O6S/c1-3-29(4-2)12-5-6-15-14-16(26)7-10-20(15)36(33,34)28-19-9-8-17-18-11-13-35-23(18)24(30)27-22(17)21(19)25(31)32/h5-11,13-14,28H,3-4,12H2,1-2H3,(H,27,30)(H,31,32)/b6-5-
• InChIKey: KTDHYCZQOYZMOO-WAYWQWQTSA-N
• XLogP: 4.27
• TPSA: 132.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.55
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid?

The IUPAC name of 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid (CID 56656346) is 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid.

What is the SMILES notation for 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid?

The canonical SMILES for 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid is CCN(CC)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c([nH]c(=O)c3occc32)c1C(=O)O.

What is the InChIKey of 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid?

The InChIKey is KTDHYCZQOYZMOO-WAYWQWQTSA-N. The full InChI is InChI=1S/C25H24FN3O6S/c1-3-29(4-2)12-5-6-15-14-16(26)7-10-20(15)36(33,34)28-19-9-8-17-18-11-13-35-23(18)24(30)27-22(17)21(19)25(31)32/h5-11,13-14,28H,3-4,12H2,1-2H3,(H,27,30)(H,31,32)/b6-5-.

What are the key properties of 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid?

7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid has a molecular weight of 513.55 g/mol, XLogP of 4.27, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4-oxo-5H-furo[2,3-c]quinoline-6-carboxylic acid is sourced from PubChem (CID 56656346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).