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

C27H26ClN3O3 — CID 1430546

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

1-[(2-chlorophenyl)methyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea (PubChem CID 1430546) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)methyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
• PubChem CID: 1430546
• Molecular Formula: C27H26ClN3O3
• Molecular Weight: 475.98 g/mol
• Exact Mass: 475.17
• IUPAC Name: 1-[(2-chlorophenyl)methyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
• SMILES: CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)Nc3ccccc3OC)cc2c1
• InChI: InChI=1S/C27H26ClN3O3/c1-3-18-12-13-23-20(14-18)15-21(26(32)29-23)17-31(16-19-8-4-5-9-22(19)28)27(33)30-24-10-6-7-11-25(24)34-2/h4-15H,3,16-17H2,1-2H3,(H,29,32)(H,30,33)
• InChIKey: WPEXTPGOMRGPMT-UHFFFAOYSA-N
• XLogP: 5.99
• 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	475.98
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[(2-chlorophenyl)methyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea (CID 1430546) is 1-[(2-chlorophenyl)methyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea.

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

The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea is CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)Nc3ccccc3OC)cc2c1.

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

The InChIKey is WPEXTPGOMRGPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c1-3-18-12-13-23-20(14-18)15-21(26(32)29-23)17-31(16-19-8-4-5-9-22(19)28)27(33)30-24-10-6-7-11-25(24)34-2/h4-15H,3,16-17H2,1-2H3,(H,29,32)(H,30,33).

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

1-[(2-chlorophenyl)methyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 475.98 g/mol, XLogP of 5.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)methyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 1430546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).