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

C24H15F2N3O3 — CID 156879708

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

3-fluoro-4-[5-(4-fluorophenyl)-6-methoxy-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid (PubChem CID 156879708) has the molecular formula C24H15F2N3O3 and a molecular weight of 431.40 g/mol. Its IUPAC name is 3-fluoro-4-[5-(4-fluorophenyl)-6-methoxy-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid.

Molecular Properties

• Compound Name: 3-fluoro-4-[5-(4-fluorophenyl)-6-methoxy-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid
• PubChem CID: 156879708
• Molecular Formula: C24H15F2N3O3
• Molecular Weight: 431.40 g/mol
• Exact Mass: 431.11
• IUPAC Name: 3-fluoro-4-[5-(4-fluorophenyl)-6-methoxy-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid
• SMILES: COc1c(-c2ccc(C(=O)O)cc2F)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1
• InChI: InChI=1S/C24H15F2N3O3/c1-32-23-21(12-2-5-15(25)6-3-12)17-8-14-11-27-29-19(14)10-20(17)28-22(23)16-7-4-13(24(30)31)9-18(16)26/h2-11H,1H3,(H,27,29)(H,30,31)
• InChIKey: RDGRPNBHQARVPS-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 88.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.40
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-4-[5-(4-fluorophenyl)-6-methoxy-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid (CID 156879708) is 3-fluoro-4-[5-(4-fluorophenyl)-6-methoxy-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid.

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

The canonical SMILES for 3-fluoro-4-[5-(4-fluorophenyl)-6-methoxy-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid is COc1c(-c2ccc(C(=O)O)cc2F)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1.

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

The InChIKey is RDGRPNBHQARVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N3O3/c1-32-23-21(12-2-5-15(25)6-3-12)17-8-14-11-27-29-19(14)10-20(17)28-22(23)16-7-4-13(24(30)31)9-18(16)26/h2-11H,1H3,(H,27,29)(H,30,31).

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

3-fluoro-4-[5-(4-fluorophenyl)-6-methoxy-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid has a molecular weight of 431.40 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-[5-(4-fluorophenyl)-6-methoxy-1H-pyrazolo[4,3-g]quinolin-7-yl]benzoic acid is sourced from PubChem (CID 156879708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).