2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid

C26H19F2N3O3 — CID 156879476

About 2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid

2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid (PubChem CID 156879476) has the molecular formula C26H19F2N3O3 and a molecular weight of 459.45 g/mol. Its IUPAC name is 2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid.

Molecular Properties

• Compound Name: 2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid
• PubChem CID: 156879476
• Molecular Formula: C26H19F2N3O3
• Molecular Weight: 459.45 g/mol
• Exact Mass: 459.14
• IUPAC Name: 2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid
• SMILES: CC(C)c1c(Oc2ccc(C(=O)O)c(F)c2)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1
• InChI: InChI=1S/C26H19F2N3O3/c1-13(2)23-24(14-3-5-16(27)6-4-14)19-9-15-12-29-31-21(15)11-22(19)30-25(23)34-17-7-8-18(26(32)33)20(28)10-17/h3-13H,1-2H3,(H,29,31)(H,32,33)
• InChIKey: SZIMODDUFHEZIP-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 88.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.45
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid?

The IUPAC name of 2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid (CID 156879476) is 2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid.

What is the SMILES notation for 2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid?

The canonical SMILES for 2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid is CC(C)c1c(Oc2ccc(C(=O)O)c(F)c2)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1.

What is the InChIKey of 2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid?

The InChIKey is SZIMODDUFHEZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O3/c1-13(2)23-24(14-3-5-16(27)6-4-14)19-9-15-12-29-31-21(15)11-22(19)30-25(23)34-17-7-8-18(26(32)33)20(28)10-17/h3-13H,1-2H3,(H,29,31)(H,32,33).

What are the key properties of 2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid?

2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid has a molecular weight of 459.45 g/mol, XLogP of 6.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrazolo[4,3-g]quinolin-7-yl]oxy]benzoic acid is sourced from PubChem (CID 156879476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).