5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione

C30H23ClN4O4S — CID 174268572

About 5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione

5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 174268572) has the molecular formula C30H23ClN4O4S and a molecular weight of 571.06 g/mol. Its IUPAC name is 5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 174268572
• Molecular Formula: C30H23ClN4O4S
• Molecular Weight: 571.06 g/mol
• Exact Mass: 570.11
• IUPAC Name: 5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione
• SMILES: Cc1ccc(C2CC(c3c(-c4ccc(Cl)cc4)c4ccccc4[nH]c3=O)=NN2C(=O)CC2SC(=O)NC2=O)cc1
• InChI: InChI=1S/C30H23ClN4O4S/c1-16-6-8-17(9-7-16)23-14-22(34-35(23)25(36)15-24-28(37)33-30(39)40-24)27-26(18-10-12-19(31)13-11-18)20-4-2-3-5-21(20)32-29(27)38/h2-13,23-24H,14-15H2,1H3,(H,32,38)(H,33,37,39)
• InChIKey: ZLQPOMIWSKZFIK-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 111.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.06
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione (CID 174268572) is 5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione is Cc1ccc(C2CC(c3c(-c4ccc(Cl)cc4)c4ccccc4[nH]c3=O)=NN2C(=O)CC2SC(=O)NC2=O)cc1.

What is the InChIKey of 5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is ZLQPOMIWSKZFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN4O4S/c1-16-6-8-17(9-7-16)23-14-22(34-35(23)25(36)15-24-28(37)33-30(39)40-24)27-26(18-10-12-19(31)13-11-18)20-4-2-3-5-21(20)32-29(27)38/h2-13,23-24H,14-15H2,1H3,(H,32,38)(H,33,37,39).

What are the key properties of 5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione?

5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 571.06 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[5-[4-(4-chlorophenyl)-2-oxo-1H-quinolin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 174268572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).