[(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid

C26H26F3N3O5 — CID 21308396

About [(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid

[(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 21308396) has the molecular formula C26H26F3N3O5 and a molecular weight of 517.50 g/mol. Its IUPAC name is [(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
• PubChem CID: 21308396
• Molecular Formula: C26H26F3N3O5
• Molecular Weight: 517.50 g/mol
• Exact Mass: 517.18
• IUPAC Name: [(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
• SMILES: CC[C@@H](OC(=O)[C@H]1CCCN1)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H25N3O3.C2HF3O2/c1-3-21(30-24(29)19-9-6-10-25-19)17-12-20-22-16(13-27(20)23(28)14(17)2)11-15-7-4-5-8-18(15)26-22;3-2(4,5)1(6)7/h4-5,7-8,11-12,19,21,25H,3,6,9-10,13H2,1-2H3;(H,6,7)/t19-,21-;/m1./s1
• InChIKey: ODNVCAHMIQFJGS-GNGUGDOWSA-N
• XLogP: 4.11
• TPSA: 110.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.50
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid?

The IUPAC name of [(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid (CID 21308396) is [(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid?

The canonical SMILES for [(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid is CC[C@@H](OC(=O)[C@H]1CCCN1)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2.O=C(O)C(F)(F)F.

What is the InChIKey of [(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid?

The InChIKey is ODNVCAHMIQFJGS-GNGUGDOWSA-N. The full InChI is InChI=1S/C24H25N3O3.C2HF3O2/c1-3-21(30-24(29)19-9-6-10-25-19)17-12-20-22-16(13-27(20)23(28)14(17)2)11-15-7-4-5-8-18(15)26-22;3-2(4,5)1(6)7/h4-5,7-8,11-12,19,21,25H,3,6,9-10,13H2,1-2H3;(H,6,7)/t19-,21-;/m1./s1.

What are the key properties of [(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid?

[(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 517.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl] (2R)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 21308396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).