2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid

C23H16FN5O2 — CID 67223890

IUPAC2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid
SMILESCC(c1ccc2ncccc2c1)c1cnc2ncc(-c3ccc(C(=O)O)c(F)c3)nn12
InChIInChI=1S/C23H16FN5O2/c1-13(14-5-7-19-15(9-14)3-2-8-25-19)21-12-27-23-26-11-20(28-29(21)23)16-4-6-17(22(30)31)18(24)10-16/h2-13H,1H3,(H,30,31)
InChIKeyBFZKEPFHKPXJHU-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.33
Rot. Bonds4

About 2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid

2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid (PubChem CID 67223890) has the molecular formula C23H16FN5O2 and a molecular weight of 413.41 g/mol. Its IUPAC name is 2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid
PubChem CID67223890
Molecular FormulaC23H16FN5O2
Molecular Weight413.41 g/mol
Exact Mass413.13
IUPAC Name2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid
SMILESCC(c1ccc2ncccc2c1)c1cnc2ncc(-c3ccc(C(=O)O)c(F)c3)nn12
InChIInChI=1S/C23H16FN5O2/c1-13(14-5-7-19-15(9-14)3-2-8-25-19)21-12-27-23-26-11-20(28-29(21)23)16-4-6-17(22(30)31)18(24)10-16/h2-13H,1H3,(H,30,31)
InChIKeyBFZKEPFHKPXJHU-UHFFFAOYSA-N
XLogP4.33
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid?
The IUPAC name of 2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid (CID 67223890) is 2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid is CC(c1ccc2ncccc2c1)c1cnc2ncc(-c3ccc(C(=O)O)c(F)c3)nn12.
What is the InChIKey of 2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid?
The InChIKey is BFZKEPFHKPXJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O2/c1-13(14-5-7-19-15(9-14)3-2-8-25-19)21-12-27-23-26-11-20(28-29(21)23)16-4-6-17(22(30)31)18(24)10-16/h2-13H,1H3,(H,30,31).
What are the key properties of 2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid?
2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid has a molecular weight of 413.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid is sourced from PubChem (CID 67223890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).