8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline

C26H22FN3O2 — CID 2137325

About 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline

8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 2137325) has the molecular formula C26H22FN3O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

• Compound Name: 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline
• PubChem CID: 2137325
• Molecular Formula: C26H22FN3O2
• Molecular Weight: 427.48 g/mol
• Exact Mass: 427.17
• IUPAC Name: 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline
• SMILES: CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccccc1F
• InChI: InChI=1S/C26H22FN3O2/c1-3-32-20-12-13-24-21(14-20)26-22(16-30(24)15-18-6-4-5-7-23(18)27)25(28-29-26)17-8-10-19(31-2)11-9-17/h4-14,16H,3,15H2,1-2H3
• InChIKey: MCMYCVBJYANLLO-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 49.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.48
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline?

The IUPAC name of 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline (CID 2137325) is 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline.

What is the SMILES notation for 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline?

The canonical SMILES for 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline is CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccccc1F.

What is the InChIKey of 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline?

The InChIKey is MCMYCVBJYANLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O2/c1-3-32-20-12-13-24-21(14-20)26-22(16-30(24)15-18-6-4-5-7-23(18)27)25(28-29-26)17-8-10-19(31-2)11-9-17/h4-14,16H,3,15H2,1-2H3.

What are the key properties of 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline?

8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 427.48 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2137325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).