7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline

C₂₀H₁₆ClF₂N₃ — CID 156879821

About 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline

7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline (PubChem CID 156879821) has the molecular formula C₂₀H₁₆ClF₂N₃ and a molecular weight of 371.82 g/mol. Its IUPAC name is 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline.

Molecular Properties

• Compound Name: 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline
• PubChem CID: 156879821
• Molecular Formula: C₂₀H₁₆ClF₂N₃
• Molecular Weight: 371.82 g/mol
• Exact Mass: 371.10
• IUPAC Name: 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline
• SMILES: Cc1c2nc(Cl)c(C(C)C)c(-c3ccc(F)c(F)c3)c2cc2cn[nH]c12
• InChI: InChI=1S/C20H16ClF2N3/c1-9(2)16-17(11-4-5-14(22)15(23)7-11)13-6-12-8-24-26-18(12)10(3)19(13)25-20(16)21/h4-9H,1-3H3,(H,24,26)
• InChIKey: PVHKQINCRUTVSK-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	371.82
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?

The IUPAC name of 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline (CID 156879821) is 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline.

What is the SMILES notation for 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?

The canonical SMILES for 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline is Cc1c2nc(Cl)c(C(C)C)c(-c3ccc(F)c(F)c3)c2cc2cn[nH]c12.

What is the InChIKey of 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?

The InChIKey is PVHKQINCRUTVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3/c1-9(2)16-17(11-4-5-14(22)15(23)7-11)13-6-12-8-24-26-18(12)10(3)19(13)25-20(16)21/h4-9H,1-3H3,(H,24,26).

What are the key properties of 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline?

7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline has a molecular weight of 371.82 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-5-(3,4-difluorophenyl)-9-methyl-6-propan-2-yl-1H-pyrazolo[4,3-g]quinoline is sourced from PubChem (CID 156879821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156879821 — identifiers, structure, computed properties (public domain)

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