8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline

C26H20FN3O5S — CID 170296711

About 8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline

8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline (PubChem CID 170296711) has the molecular formula C26H20FN3O5S and a molecular weight of 505.53 g/mol. Its IUPAC name is 8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline.

Molecular Properties

• Compound Name: 8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline
• PubChem CID: 170296711
• Molecular Formula: C26H20FN3O5S
• Molecular Weight: 505.53 g/mol
• Exact Mass: 505.11
• IUPAC Name: 8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline
• SMILES: CCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(CC)c2cc1-c1cccc(OS(=O)(=O)F)c1
• InChI: InChI=1S/C26H20FN3O5S/c1-3-30-22-12-19(16-6-5-7-17(11-16)35-36(27,32)33)23(34-4-2)13-20(22)25(31)24-18-9-8-15(14-28)10-21(18)29-26(24)30/h5-13,29H,3-4H2,1-2H3
• InChIKey: QOVYWORJXYMDIH-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 114.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.53
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline?

The IUPAC name of 8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline (CID 170296711) is 8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline.

What is the SMILES notation for 8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline?

The canonical SMILES for 8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline is CCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(CC)c2cc1-c1cccc(OS(=O)(=O)F)c1.

What is the InChIKey of 8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline?

The InChIKey is QOVYWORJXYMDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O5S/c1-3-30-22-12-19(16-6-5-7-17(11-16)35-36(27,32)33)23(34-4-2)13-20(22)25(31)24-18-9-8-15(14-28)10-21(18)29-26(24)30/h5-13,29H,3-4H2,1-2H3.

What are the key properties of 8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline?

8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline has a molecular weight of 505.53 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyano-2-ethoxy-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline is sourced from PubChem (CID 170296711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).