3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea

C28H29N3O3 — CID 3194385

About 3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea

3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea (PubChem CID 3194385) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

• Compound Name: 3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
• PubChem CID: 3194385
• Molecular Formula: C28H29N3O3
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.22
• IUPAC Name: 3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
• SMILES: COc1ccccc1NC(=O)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O
• InChI: InChI=1S/C28H29N3O3/c1-19-9-4-5-11-21(19)15-16-31(28(33)29-24-13-6-7-14-25(24)34-3)18-23-17-22-12-8-10-20(2)26(22)30-27(23)32/h4-14,17H,15-16,18H2,1-3H3,(H,29,33)(H,30,32)
• InChIKey: GYIHMHFTVHTMKF-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 74.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea?

The IUPAC name of 3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea (CID 3194385) is 3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea.

What is the SMILES notation for 3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea?

The canonical SMILES for 3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea is COc1ccccc1NC(=O)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O.

What is the InChIKey of 3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea?

The InChIKey is GYIHMHFTVHTMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-19-9-4-5-11-21(19)15-16-31(28(33)29-24-13-6-7-14-25(24)34-3)18-23-17-22-12-8-10-20(2)26(22)30-27(23)32/h4-14,17H,15-16,18H2,1-3H3,(H,29,33)(H,30,32).

What are the key properties of 3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea?

3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea has a molecular weight of 455.56 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 3194385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).