2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide

C29H32N4O4 — CID 41429505

About 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide

2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide (PubChem CID 41429505) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide
• PubChem CID: 41429505
• Molecular Formula: C29H32N4O4
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.24
• IUPAC Name: 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide
• SMILES: CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)c2ccccc21
• InChI: InChI=1S/C29H32N4O4/c1-5-32(6-2)25(34)17-33-16-23(22-9-7-8-10-24(22)33)27(35)29(37)30-14-13-21-15-20-12-11-18(3)19(4)26(20)31-28(21)36/h7-12,15-16H,5-6,13-14,17H2,1-4H3,(H,30,37)(H,31,36)
• InChIKey: AMYHDDQNUCKUSI-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 104.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide?

The IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide (CID 41429505) is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide.

What is the SMILES notation for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide?

The canonical SMILES for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide is CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)c2ccccc21.

What is the InChIKey of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide?

The InChIKey is AMYHDDQNUCKUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-5-32(6-2)25(34)17-33-16-23(22-9-7-8-10-24(22)33)27(35)29(37)30-14-13-21-15-20-12-11-18(3)19(4)26(20)31-28(21)36/h7-12,15-16H,5-6,13-14,17H2,1-4H3,(H,30,37)(H,31,36).

What are the key properties of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide?

2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide has a molecular weight of 500.60 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 41429505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).