5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride

C28H23FN4O3S — CID 170297401

About 5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride

5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride (PubChem CID 170297401) has the molecular formula C28H23FN4O3S and a molecular weight of 514.58 g/mol. Its IUPAC name is 5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride.

Molecular Properties

• Compound Name: 5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
• PubChem CID: 170297401
• Molecular Formula: C28H23FN4O3S
• Molecular Weight: 514.58 g/mol
• Exact Mass: 514.15
• IUPAC Name: 5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
• SMILES: CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCCC3)c2cc1-c1cncc(S(=O)(=O)F)c1
• InChI: InChI=1S/C28H23FN4O3S/c1-2-17-11-23-25(12-22(17)18-10-20(15-31-14-18)37(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: HCMDHONCIVUXEV-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 108.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.58
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride?

The IUPAC name of 5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride (CID 170297401) is 5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride.

What is the SMILES notation for 5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride?

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

What is the InChIKey of 5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride?

The InChIKey is HCMDHONCIVUXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O3S/c1-2-17-11-23-25(12-22(17)18-10-20(15-31-14-18)37(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 5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride?

5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride has a molecular weight of 514.58 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-cyano-5-cyclopentyl-2-ethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride is sourced from PubChem (CID 170297401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).