[3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone

C24H17Cl2N3O3 — CID 5122184

About [3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone

[3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (PubChem CID 5122184) has the molecular formula C24H17Cl2N3O3 and a molecular weight of 466.32 g/mol. Its IUPAC name is [3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

• Compound Name: [3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
• PubChem CID: 5122184
• Molecular Formula: C24H17Cl2N3O3
• Molecular Weight: 466.32 g/mol
• Exact Mass: 465.06
• IUPAC Name: [3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
• SMILES: COc1ccc2cc(C3CC(c4ccc(Cl)cc4)=NN3C(=O)c3ccco3)c(Cl)nc2c1
• InChI: InChI=1S/C24H17Cl2N3O3/c1-31-17-9-6-15-11-18(23(26)27-19(15)12-17)21-13-20(14-4-7-16(25)8-5-14)28-29(21)24(30)22-3-2-10-32-22/h2-12,21H,13H2,1H3
• InChIKey: FJQVOUJSZJJOKO-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 67.93 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.32
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?

The IUPAC name of [3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (CID 5122184) is [3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

What is the SMILES notation for [3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?

The canonical SMILES for [3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is COc1ccc2cc(C3CC(c4ccc(Cl)cc4)=NN3C(=O)c3ccco3)c(Cl)nc2c1.

What is the InChIKey of [3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?

The InChIKey is FJQVOUJSZJJOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O3/c1-31-17-9-6-15-11-18(23(26)27-19(15)12-17)21-13-20(14-4-7-16(25)8-5-14)28-29(21)24(30)22-3-2-10-32-22/h2-12,21H,13H2,1H3.

What are the key properties of [3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?

[3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone has a molecular weight of 466.32 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 5122184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).