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

C25H18FN3O4S — CID 170296701

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

8-cyano-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-2-methyl-11-oxo-6H-indolo[2,3-b]quinoline (PubChem CID 170296701) has the molecular formula C25H18FN3O4S and a molecular weight of 475.50 g/mol. Its IUPAC name is 8-cyano-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-2-methyl-11-oxo-6H-indolo[2,3-b]quinoline.

Molecular Properties

• Compound Name: 8-cyano-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-2-methyl-11-oxo-6H-indolo[2,3-b]quinoline
• PubChem CID: 170296701
• Molecular Formula: C25H18FN3O4S
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.10
• IUPAC Name: 8-cyano-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-2-methyl-11-oxo-6H-indolo[2,3-b]quinoline
• SMILES: CCn1c2cc(-c3cccc(OS(=O)(=O)F)c3)c(C)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21
• InChI: InChI=1S/C25H18FN3O4S/c1-3-29-22-12-19(16-5-4-6-17(11-16)33-34(26,31)32)14(2)9-20(22)24(30)23-18-8-7-15(13-27)10-21(18)28-25(23)29/h4-12,28H,3H2,1-2H3
• InChIKey: VPCIAKYDHLPRSI-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 104.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.50
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-cyano-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-2-methyl-11-oxo-6H-indolo[2,3-b]quinoline (CID 170296701) is 8-cyano-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-2-methyl-11-oxo-6H-indolo[2,3-b]quinoline.

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

The canonical SMILES for 8-cyano-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-2-methyl-11-oxo-6H-indolo[2,3-b]quinoline is CCn1c2cc(-c3cccc(OS(=O)(=O)F)c3)c(C)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21.

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

The InChIKey is VPCIAKYDHLPRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O4S/c1-3-29-22-12-19(16-5-4-6-17(11-16)33-34(26,31)32)14(2)9-20(22)24(30)23-18-8-7-15(13-27)10-21(18)28-25(23)29/h4-12,28H,3H2,1-2H3.

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

8-cyano-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-2-methyl-11-oxo-6H-indolo[2,3-b]quinoline has a molecular weight of 475.50 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyano-5-ethyl-3-(3-fluorosulfonyloxyphenyl)-2-methyl-11-oxo-6H-indolo[2,3-b]quinoline is sourced from PubChem (CID 170296701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).