5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile

C23H20FN3O — CID 118342436

About 5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile

5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118342436) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
• PubChem CID: 118342436
• Molecular Formula: C23H20FN3O
• Molecular Weight: 373.43 g/mol
• Exact Mass: 373.16
• IUPAC Name: 5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
• SMILES: CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCCC3)c2cc1F
• InChI: InChI=1S/C23H20FN3O/c1-2-14-10-17-20(11-18(14)24)27(15-5-3-4-6-15)23-21(22(17)28)16-8-7-13(12-25)9-19(16)26-23/h7-11,15,26H,2-6H2,1H3
• InChIKey: OQKMANHMWFRHTQ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 61.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	373.43
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?

The IUPAC name of 5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 118342436) is 5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile.

What is the SMILES notation for 5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?

The canonical SMILES for 5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile is CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C3CCCC3)c2cc1F.

What is the InChIKey of 5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?

The InChIKey is OQKMANHMWFRHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-2-14-10-17-20(11-18(14)24)27(15-5-3-4-6-15)23-21(22(17)28)16-8-7-13(12-25)9-19(16)26-23/h7-11,15,26H,2-6H2,1H3.

What are the key properties of 5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?

5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 373.43 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118342436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).