1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea

C28H29N3O5 — CID 1437233

About 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea

1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea (PubChem CID 1437233) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea
• PubChem CID: 1437233
• Molecular Formula: C28H29N3O5
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.21
• IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea
• SMILES: CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)Nc3ccc(OC)cc3)cc2c1
• InChI: InChI=1S/C28H29N3O5/c1-4-36-24-13-14-25-20(16-24)15-21(27(32)30-25)18-31(17-19-7-5-6-8-26(19)35-3)28(33)29-22-9-11-23(34-2)12-10-22/h5-16H,4,17-18H2,1-3H3,(H,29,33)(H,30,32)
• InChIKey: OEZTUHZRYJMCDR-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 92.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea?

The IUPAC name of 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea (CID 1437233) is 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea.

What is the SMILES notation for 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea?

The canonical SMILES for 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea is CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)Nc3ccc(OC)cc3)cc2c1.

What is the InChIKey of 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea?

The InChIKey is OEZTUHZRYJMCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-4-36-24-13-14-25-20(16-24)15-21(27(32)30-25)18-31(17-19-7-5-6-8-26(19)35-3)28(33)29-22-9-11-23(34-2)12-10-22/h5-16H,4,17-18H2,1-3H3,(H,29,33)(H,30,32).

What are the key properties of 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea?

1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea has a molecular weight of 487.56 g/mol, XLogP of 5.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 1437233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).