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

C19H14FN3O — CID 118342478

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

3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118342478) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
• PubChem CID: 118342478
• Molecular Formula: C19H14FN3O
• Molecular Weight: 319.34 g/mol
• Exact Mass: 319.11
• IUPAC Name: 3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
• SMILES: CC(C)n1c2cc(F)ccc2c(=O)c2c3ccc(C#N)cc3[nH]c21
• InChI: InChI=1S/C19H14FN3O/c1-10(2)23-16-8-12(20)4-6-14(16)18(24)17-13-5-3-11(9-21)7-15(13)22-19(17)23/h3-8,10,22H,1-2H3
• InChIKey: WBXRCZKXRZOSMX-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 61.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.34
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 118342478) is 3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.

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

The canonical SMILES for 3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is CC(C)n1c2cc(F)ccc2c(=O)c2c3ccc(C#N)cc3[nH]c21.

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

The InChIKey is WBXRCZKXRZOSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-10(2)23-16-8-12(20)4-6-14(16)18(24)17-13-5-3-11(9-21)7-15(13)22-19(17)23/h3-8,10,22H,1-2H3.

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

3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 319.34 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118342478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).