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

C24H17Cl2N3O2 — CID 23797248

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

[3-(2-chloro-7-methylquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (PubChem CID 23797248) has the molecular formula C24H17Cl2N3O2 and a molecular weight of 450.33 g/mol. Its IUPAC name is [3-(2-chloro-7-methylquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

• Compound Name: [3-(2-chloro-7-methylquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
• PubChem CID: 23797248
• Molecular Formula: C24H17Cl2N3O2
• Molecular Weight: 450.33 g/mol
• Exact Mass: 449.07
• IUPAC Name: [3-(2-chloro-7-methylquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
• SMILES: Cc1ccc2cc(C3CC(c4ccc(Cl)cc4)=NN3C(=O)c3ccco3)c(Cl)nc2c1
• InChI: InChI=1S/C24H17Cl2N3O2/c1-14-4-5-16-12-18(23(26)27-19(16)11-14)21-13-20(15-6-8-17(25)9-7-15)28-29(21)24(30)22-3-2-10-31-22/h2-12,21H,13H2,1H3
• InChIKey: LSFIDQMDBODZCW-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 58.70 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.33
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-methylquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?

The IUPAC name of [3-(2-chloro-7-methylquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (CID 23797248) is [3-(2-chloro-7-methylquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

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

The canonical SMILES for [3-(2-chloro-7-methylquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is Cc1ccc2cc(C3CC(c4ccc(Cl)cc4)=NN3C(=O)c3ccco3)c(Cl)nc2c1.

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

The InChIKey is LSFIDQMDBODZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O2/c1-14-4-5-16-12-18(23(26)27-19(16)11-14)21-13-20(15-6-8-17(25)9-7-15)28-29(21)24(30)22-3-2-10-31-22/h2-12,21H,13H2,1H3.

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

[3-(2-chloro-7-methylquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone has a molecular weight of 450.33 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-chloro-7-methylquinolin-3-yl)-5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 23797248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).