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

C27H23FN4O5S — CID 170297767

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

8-cyano-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinoline (PubChem CID 170297767) has the molecular formula C27H23FN4O5S and a molecular weight of 534.57 g/mol. Its IUPAC name is 8-cyano-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinoline.

Molecular Properties

• Compound Name: 8-cyano-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinoline
• PubChem CID: 170297767
• Molecular Formula: C27H23FN4O5S
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.14
• IUPAC Name: 8-cyano-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinoline
• SMILES: CC(C)Oc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1-c1cncc(OS(=O)(=O)F)c1
• InChI: InChI=1S/C27H23FN4O5S/c1-14(2)32-23-9-20(17-8-18(13-30-12-17)37-38(28,34)35)24(36-15(3)4)10-21(23)26(33)25-19-6-5-16(11-29)7-22(19)31-27(25)32/h5-10,12-15,31H,1-4H3
• InChIKey: LEVTVLSTPIECQI-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 127.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-cyano-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinoline (CID 170297767) is 8-cyano-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinoline.

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

The canonical SMILES for 8-cyano-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinoline is CC(C)Oc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1-c1cncc(OS(=O)(=O)F)c1.

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

The InChIKey is LEVTVLSTPIECQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O5S/c1-14(2)32-23-9-20(17-8-18(13-30-12-17)37-38(28,34)35)24(36-15(3)4)10-21(23)26(33)25-19-6-5-16(11-29)7-22(19)31-27(25)32/h5-10,12-15,31H,1-4H3.

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

8-cyano-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinoline has a molecular weight of 534.57 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyano-3-(5-fluorosulfonyloxy-3-pyridinyl)-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-indolo[2,3-b]quinoline is sourced from PubChem (CID 170297767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).