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

C26H21FN4O3S — CID 170297149

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

5-(8-cyano-2-ethyl-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride (PubChem CID 170297149) has the molecular formula C26H21FN4O3S and a molecular weight of 488.54 g/mol. Its IUPAC name is 5-(8-cyano-2-ethyl-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride.

Molecular Properties

• Compound Name: 5-(8-cyano-2-ethyl-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
• PubChem CID: 170297149
• Molecular Formula: C26H21FN4O3S
• Molecular Weight: 488.54 g/mol
• Exact Mass: 488.13
• IUPAC Name: 5-(8-cyano-2-ethyl-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
• SMILES: CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1-c1cncc(S(=O)(=O)F)c1
• InChI: InChI=1S/C26H21FN4O3S/c1-4-16-9-21-23(10-20(16)17-8-18(13-29-12-17)35(27,33)34)31(14(2)3)26-24(25(21)32)19-6-5-15(11-28)7-22(19)30-26/h5-10,12-14,30H,4H2,1-3H3
• InChIKey: FREBSYKXJLBESA-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 108.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.54
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(8-cyano-2-ethyl-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride (CID 170297149) is 5-(8-cyano-2-ethyl-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride.

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

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

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

The InChIKey is FREBSYKXJLBESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3S/c1-4-16-9-21-23(10-20(16)17-8-18(13-29-12-17)35(27,33)34)31(14(2)3)26-24(25(21)32)19-6-5-15(11-28)7-22(19)30-26/h5-10,12-14,30H,4H2,1-3H3.

What are the key properties of 5-(8-cyano-2-ethyl-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride?

5-(8-cyano-2-ethyl-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride has a molecular weight of 488.54 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-cyano-2-ethyl-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride is sourced from PubChem (CID 170297149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).