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

C27H22FN3O5S — CID 170296630

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

8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline (PubChem CID 170296630) has the molecular formula C27H22FN3O5S and a molecular weight of 519.55 g/mol. Its IUPAC name is 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline.

Molecular Properties

• Compound Name: 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline
• PubChem CID: 170296630
• Molecular Formula: C27H22FN3O5S
• Molecular Weight: 519.55 g/mol
• Exact Mass: 519.13
• IUPAC Name: 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline
• SMILES: CCOc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1-c1cccc(OS(=O)(=O)F)c1
• InChI: InChI=1S/C27H22FN3O5S/c1-4-35-24-13-21-23(12-20(24)17-6-5-7-18(11-17)36-37(28,33)34)31(15(2)3)27-25(26(21)32)19-9-8-16(14-29)10-22(19)30-27/h5-13,15,30H,4H2,1-3H3
• InChIKey: KIVRMZWRZQSCFS-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 114.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.55
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline (CID 170296630) is 8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline.

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

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

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

The InChIKey is KIVRMZWRZQSCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3O5S/c1-4-35-24-13-21-23(12-20(24)17-6-5-7-18(11-17)36-37(28,33)34)31(15(2)3)27-25(26(21)32)19-9-8-16(14-29)10-22(19)30-27/h5-13,15,30H,4H2,1-3H3.

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

8-cyano-2-ethoxy-3-(3-fluorosulfonyloxyphenyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline has a molecular weight of 519.55 g/mol, XLogP of 5.75, 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-3-(3-fluorosulfonyloxyphenyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline is sourced from PubChem (CID 170296630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).