5-(8-cyano-2-ethyl-11-oxo-5-piperidin-4-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride

C28H24FN5O3S — CID 170297595

About 5-(8-cyano-2-ethyl-11-oxo-5-piperidin-4-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride

5-(8-cyano-2-ethyl-11-oxo-5-piperidin-4-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride (PubChem CID 170297595) has the molecular formula C28H24FN5O3S and a molecular weight of 529.60 g/mol. Its IUPAC name is 5-(8-cyano-2-ethyl-11-oxo-5-piperidin-4-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-piperidin-4-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
• PubChem CID: 170297595
• Molecular Formula: C28H24FN5O3S
• Molecular Weight: 529.60 g/mol
• Exact Mass: 529.16
• IUPAC Name: 5-(8-cyano-2-ethyl-11-oxo-5-piperidin-4-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
• SMILES: CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCNCC3)c2cc1-c1cncc(S(=O)(=O)F)c1
• InChI: InChI=1S/C28H24FN5O3S/c1-2-17-11-23-25(12-22(17)18-10-20(15-32-14-18)38(29,36)37)34(19-5-7-31-8-6-19)28-26(27(23)35)21-4-3-16(13-30)9-24(21)33-28/h3-4,9-12,14-15,19,31,33H,2,5-8H2,1H3
• InChIKey: UOKYIYZQCUEOSA-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 120.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.60
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(8-cyano-2-ethyl-11-oxo-5-piperidin-4-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-piperidin-4-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride (CID 170297595) is 5-(8-cyano-2-ethyl-11-oxo-5-piperidin-4-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-piperidin-4-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-piperidin-4-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride is CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCNCC3)c2cc1-c1cncc(S(=O)(=O)F)c1.

What is the InChIKey of 5-(8-cyano-2-ethyl-11-oxo-5-piperidin-4-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride?

The InChIKey is UOKYIYZQCUEOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O3S/c1-2-17-11-23-25(12-22(17)18-10-20(15-32-14-18)38(29,36)37)34(19-5-7-31-8-6-19)28-26(27(23)35)21-4-3-16(13-30)9-24(21)33-28/h3-4,9-12,14-15,19,31,33H,2,5-8H2,1H3.

What are the key properties of 5-(8-cyano-2-ethyl-11-oxo-5-piperidin-4-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride?

5-(8-cyano-2-ethyl-11-oxo-5-piperidin-4-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride has a molecular weight of 529.60 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-cyano-2-ethyl-11-oxo-5-piperidin-4-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride is sourced from PubChem (CID 170297595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).