8-cyano-5-cyclopentyl-2-ethyl-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-6H-indolo[2,3-b]quinoline

C28H23FN4O4S — CID 170298042

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

8-cyano-5-cyclopentyl-2-ethyl-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-6H-indolo[2,3-b]quinoline (PubChem CID 170298042) has the molecular formula C28H23FN4O4S and a molecular weight of 530.58 g/mol. Its IUPAC name is 8-cyano-5-cyclopentyl-2-ethyl-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-6H-indolo[2,3-b]quinoline.

Molecular Properties

• Compound Name: 8-cyano-5-cyclopentyl-2-ethyl-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-6H-indolo[2,3-b]quinoline
• PubChem CID: 170298042
• Molecular Formula: C28H23FN4O4S
• Molecular Weight: 530.58 g/mol
• Exact Mass: 530.14
• IUPAC Name: 8-cyano-5-cyclopentyl-2-ethyl-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-6H-indolo[2,3-b]quinoline
• SMILES: CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCCC3)c2cc1-c1cncc(OS(=O)(=O)F)c1
• InChI: InChI=1S/C28H23FN4O4S/c1-2-17-11-23-25(12-22(17)18-10-20(15-31-14-18)37-38(29,35)36)33(19-5-3-4-6-19)28-26(27(23)34)21-8-7-16(13-30)9-24(21)32-28/h7-12,14-15,19,32H,2-6H2,1H3
• InChIKey: SRCABZYKEVYBGQ-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 117.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.58
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-cyano-5-cyclopentyl-2-ethyl-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-6H-indolo[2,3-b]quinoline (CID 170298042) is 8-cyano-5-cyclopentyl-2-ethyl-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-6H-indolo[2,3-b]quinoline.

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

The canonical SMILES for 8-cyano-5-cyclopentyl-2-ethyl-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-6H-indolo[2,3-b]quinoline is CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCCC3)c2cc1-c1cncc(OS(=O)(=O)F)c1.

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

The InChIKey is SRCABZYKEVYBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O4S/c1-2-17-11-23-25(12-22(17)18-10-20(15-31-14-18)37-38(29,35)36)33(19-5-3-4-6-19)28-26(27(23)34)21-8-7-16(13-30)9-24(21)32-28/h7-12,14-15,19,32H,2-6H2,1H3.

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

8-cyano-5-cyclopentyl-2-ethyl-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-6H-indolo[2,3-b]quinoline has a molecular weight of 530.58 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyano-5-cyclopentyl-2-ethyl-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-6H-indolo[2,3-b]quinoline is sourced from PubChem (CID 170298042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).