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

C30H26FN3O4S — CID 170296905

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

8-cyano-5-cyclohexyl-2-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline (PubChem CID 170296905) has the molecular formula C30H26FN3O4S and a molecular weight of 543.62 g/mol. Its IUPAC name is 8-cyano-5-cyclohexyl-2-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline.

Molecular Properties

• Compound Name: 8-cyano-5-cyclohexyl-2-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline
• PubChem CID: 170296905
• Molecular Formula: C30H26FN3O4S
• Molecular Weight: 543.62 g/mol
• Exact Mass: 543.16
• IUPAC Name: 8-cyano-5-cyclohexyl-2-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline
• SMILES: CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCCCC3)c2cc1-c1cccc(OS(=O)(=O)F)c1
• InChI: InChI=1S/C30H26FN3O4S/c1-2-19-15-25-27(16-24(19)20-7-6-10-22(14-20)38-39(31,36)37)34(21-8-4-3-5-9-21)30-28(29(25)35)23-12-11-18(17-32)13-26(23)33-30/h6-7,10-16,21,33H,2-5,8-9H2,1H3
• InChIKey: QQSHBTDIUGWPKX-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 104.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.62
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-cyano-5-cyclohexyl-2-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline (CID 170296905) is 8-cyano-5-cyclohexyl-2-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline.

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

The canonical SMILES for 8-cyano-5-cyclohexyl-2-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline is CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCCCC3)c2cc1-c1cccc(OS(=O)(=O)F)c1.

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

The InChIKey is QQSHBTDIUGWPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O4S/c1-2-19-15-25-27(16-24(19)20-7-6-10-22(14-20)38-39(31,36)37)34(21-8-4-3-5-9-21)30-28(29(25)35)23-12-11-18(17-32)13-26(23)33-30/h6-7,10-16,21,33H,2-5,8-9H2,1H3.

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

8-cyano-5-cyclohexyl-2-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline has a molecular weight of 543.62 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyano-5-cyclohexyl-2-ethyl-3-(3-fluorosulfonyloxyphenyl)-11-oxo-6H-indolo[2,3-b]quinoline is sourced from PubChem (CID 170296905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).