3-(8-cyano-2,5-diethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)benzenesulfonyl fluoride

C26H20FN3O3S — CID 170296007

About 3-(8-cyano-2,5-diethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)benzenesulfonyl fluoride

3-(8-cyano-2,5-diethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)benzenesulfonyl fluoride (PubChem CID 170296007) has the molecular formula C26H20FN3O3S and a molecular weight of 473.53 g/mol. Its IUPAC name is 3-(8-cyano-2,5-diethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)benzenesulfonyl fluoride.

Molecular Properties

• Compound Name: 3-(8-cyano-2,5-diethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)benzenesulfonyl fluoride
• PubChem CID: 170296007
• Molecular Formula: C26H20FN3O3S
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.12
• IUPAC Name: 3-(8-cyano-2,5-diethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)benzenesulfonyl fluoride
• SMILES: CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(CC)c2cc1-c1cccc(S(=O)(=O)F)c1
• InChI: InChI=1S/C26H20FN3O3S/c1-3-16-12-21-23(13-20(16)17-6-5-7-18(11-17)34(27,32)33)30(4-2)26-24(25(21)31)19-9-8-15(14-28)10-22(19)29-26/h5-13,29H,3-4H2,1-2H3
• InChIKey: NCUWPZXFFMPRHR-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 95.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(8-cyano-2,5-diethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)benzenesulfonyl fluoride (CID 170296007) is 3-(8-cyano-2,5-diethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)benzenesulfonyl fluoride.

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

The canonical SMILES for 3-(8-cyano-2,5-diethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)benzenesulfonyl fluoride is CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(CC)c2cc1-c1cccc(S(=O)(=O)F)c1.

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

The InChIKey is NCUWPZXFFMPRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O3S/c1-3-16-12-21-23(13-20(16)17-6-5-7-18(11-17)34(27,32)33)30(4-2)26-24(25(21)31)19-9-8-15(14-28)10-22(19)29-26/h5-13,29H,3-4H2,1-2H3.

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

3-(8-cyano-2,5-diethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)benzenesulfonyl fluoride has a molecular weight of 473.53 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(8-cyano-2,5-diethyl-11-oxo-6H-indolo[2,3-b]quinolin-3-yl)benzenesulfonyl fluoride is sourced from PubChem (CID 170296007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).