10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid

C19H14FNO5 — CID 155666664

About 10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid

10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (PubChem CID 155666664) has the molecular formula C19H14FNO5 and a molecular weight of 355.32 g/mol. Its IUPAC name is 10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.

Molecular Properties

• Compound Name: 10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
• PubChem CID: 155666664
• Molecular Formula: C19H14FNO5
• Molecular Weight: 355.32 g/mol
• Exact Mass: 355.09
• IUPAC Name: 10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
• SMILES: CCOC(=O)C12c3ccccc3C(=O)N1c1cc(F)ccc1C2C(=O)O
• InChI: InChI=1S/C19H14FNO5/c1-2-26-18(25)19-13-6-4-3-5-11(13)16(22)21(19)14-9-10(20)7-8-12(14)15(19)17(23)24/h3-9,15H,2H2,1H3,(H,23,24)
• InChIKey: DMMJSPQIJQABOP-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 83.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.32
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?

The IUPAC name of 10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (CID 155666664) is 10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.

What is the SMILES notation for 10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?

The canonical SMILES for 10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is CCOC(=O)C12c3ccccc3C(=O)N1c1cc(F)ccc1C2C(=O)O.

What is the InChIKey of 10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?

The InChIKey is DMMJSPQIJQABOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO5/c1-2-26-18(25)19-13-6-4-3-5-11(13)16(22)21(19)14-9-10(20)7-8-12(14)15(19)17(23)24/h3-9,15H,2H2,1H3,(H,23,24).

What are the key properties of 10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?

10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid has a molecular weight of 355.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10b-ethoxycarbonyl-3-fluoro-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is sourced from PubChem (CID 155666664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).