ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate

C26H23N5O4 — CID 108798001

About ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate

ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate (PubChem CID 108798001) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate
• PubChem CID: 108798001
• Molecular Formula: C26H23N5O4
• Molecular Weight: 469.50 g/mol
• Exact Mass: 469.18
• IUPAC Name: ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate
• SMILES: CCOC(=O)c1cnn(-c2cc(C)c3cccc(C)c3n2)c1NC(=O)c1ccc2c(c1)CC(=O)N2
• InChI: InChI=1S/C26H23N5O4/c1-4-35-26(34)19-13-27-31(21-10-15(3)18-7-5-6-14(2)23(18)29-21)24(19)30-25(33)16-8-9-20-17(11-16)12-22(32)28-20/h5-11,13H,4,12H2,1-3H3,(H,28,32)(H,30,33)
• InChIKey: JQGQUOHGLICXRY-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 115.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate?

The IUPAC name of ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate (CID 108798001) is ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate.

What is the SMILES notation for ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate?

The canonical SMILES for ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(C)c3cccc(C)c3n2)c1NC(=O)c1ccc2c(c1)CC(=O)N2.

What is the InChIKey of ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate?

The InChIKey is JQGQUOHGLICXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-4-35-26(34)19-13-27-31(21-10-15(3)18-7-5-6-14(2)23(18)29-21)24(19)30-25(33)16-8-9-20-17(11-16)12-22(32)28-20/h5-11,13H,4,12H2,1-3H3,(H,28,32)(H,30,33).

What are the key properties of ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate?

ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate has a molecular weight of 469.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate is sourced from PubChem (CID 108798001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).