6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline

C₂₃H₂₀N₄ — CID 137073037

About 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline

6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline (PubChem CID 137073037) has the molecular formula C₂₃H₂₀N₄ and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline.

Molecular Properties

• Compound Name: 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline
• PubChem CID: 137073037
• Molecular Formula: C₂₃H₂₀N₄
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.17
• IUPAC Name: 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline
• SMILES: CC(C1=Cc2cc3c(-c4cccnc4)n[nH]c3cc2NC1)c1ccccc1
• InChI: InChI=1S/C23H20N4/c1-15(16-6-3-2-4-7-16)19-10-18-11-20-22(12-21(18)25-14-19)26-27-23(20)17-8-5-9-24-13-17/h2-13,15,25H,14H2,1H3,(H,26,27)
• InChIKey: LQFUXXHQZIMSDZ-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline?

The IUPAC name of 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline (CID 137073037) is 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline.

What is the SMILES notation for 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline?

The canonical SMILES for 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline is CC(C1=Cc2cc3c(-c4cccnc4)n[nH]c3cc2NC1)c1ccccc1.

What is the InChIKey of 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline?

The InChIKey is LQFUXXHQZIMSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-15(16-6-3-2-4-7-16)19-10-18-11-20-22(12-21(18)25-14-19)26-27-23(20)17-8-5-9-24-13-17/h2-13,15,25H,14H2,1H3,(H,26,27).

What are the key properties of 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline?

6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline has a molecular weight of 352.44 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline is sourced from PubChem (CID 137073037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 137073037 — identifiers, structure, computed properties (public domain)

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