3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione

C20H26N6O3 — CID 129004274

About 3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione

3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 129004274) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 129004274
• Molecular Formula: C20H26N6O3
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.21
• IUPAC Name: 3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione
• SMILES: COCCn1cc(CC2NC(=O)N(CCN3CCCc4ccccc43)C2=O)nn1
• InChI: InChI=1S/C20H26N6O3/c1-29-12-11-25-14-16(22-23-25)13-17-19(27)26(20(28)21-17)10-9-24-8-4-6-15-5-2-3-7-18(15)24/h2-3,5,7,14,17H,4,6,8-13H2,1H3,(H,21,28)
• InChIKey: LZLQPBNFAWRXIU-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione (CID 129004274) is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione is COCCn1cc(CC2NC(=O)N(CCN3CCCc4ccccc43)C2=O)nn1.

What is the InChIKey of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione?

The InChIKey is LZLQPBNFAWRXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-29-12-11-25-14-16(22-23-25)13-17-19(27)26(20(28)21-17)10-9-24-8-4-6-15-5-2-3-7-18(15)24/h2-3,5,7,14,17H,4,6,8-13H2,1H3,(H,21,28).

What are the key properties of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione?

3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 398.47 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 129004274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).