8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline

C28H24FN3O4S — CID 170296619

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

8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline (PubChem CID 170296619) has the molecular formula C28H24FN3O4S and a molecular weight of 517.58 g/mol. Its IUPAC name is 8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline.

Molecular Properties

• Compound Name: 8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline
• PubChem CID: 170296619
• Molecular Formula: C28H24FN3O4S
• Molecular Weight: 517.58 g/mol
• Exact Mass: 517.15
• IUPAC Name: 8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline
• SMILES: CC(C)c1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1-c1cccc(OS(=O)(=O)F)c1
• InChI: InChI=1S/C28H24FN3O4S/c1-15(2)21-12-23-25(13-22(21)18-6-5-7-19(11-18)36-37(29,34)35)32(16(3)4)28-26(27(23)33)20-9-8-17(14-30)10-24(20)31-28/h5-13,15-16,31H,1-4H3
• InChIKey: VQUOXKRLBHBDAC-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 104.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.58
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline (CID 170296619) is 8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline.

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

The canonical SMILES for 8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline is CC(C)c1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1-c1cccc(OS(=O)(=O)F)c1.

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

The InChIKey is VQUOXKRLBHBDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O4S/c1-15(2)21-12-23-25(13-22(21)18-6-5-7-19(11-18)36-37(29,34)35)32(16(3)4)28-26(27(23)33)20-9-8-17(14-30)10-24(20)31-28/h5-13,15-16,31H,1-4H3.

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

8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline has a molecular weight of 517.58 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline is sourced from PubChem (CID 170296619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).