3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea

C28H29N3O5 — CID 1437384

About 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea

3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea (PubChem CID 1437384) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

• Compound Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea
• PubChem CID: 1437384
• Molecular Formula: C28H29N3O5
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.21
• IUPAC Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea
• SMILES: COc1ccccc1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=O)NCc1ccccc1
• InChI: InChI=1S/C28H29N3O5/c1-34-24-12-8-7-11-20(24)17-31(28(33)29-16-19-9-5-4-6-10-19)18-22-13-21-14-25(35-2)26(36-3)15-23(21)30-27(22)32/h4-15H,16-18H2,1-3H3,(H,29,33)(H,30,32)
• InChIKey: UDRKVQRWPOIKKR-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 92.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea?

The IUPAC name of 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea (CID 1437384) is 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea.

What is the SMILES notation for 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea?

The canonical SMILES for 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=O)NCc1ccccc1.

What is the InChIKey of 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea?

The InChIKey is UDRKVQRWPOIKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-34-24-12-8-7-11-20(24)17-31(28(33)29-16-19-9-5-4-6-10-19)18-22-13-21-14-25(35-2)26(36-3)15-23(21)30-27(22)32/h4-15H,16-18H2,1-3H3,(H,29,33)(H,30,32).

What are the key properties of 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea?

3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea has a molecular weight of 487.56 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 1437384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).