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

C26H24ClN3O3 — CID 1449539

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

3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 1449539) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
• PubChem CID: 1449539
• Molecular Formula: C26H24ClN3O3
• Molecular Weight: 461.95 g/mol
• Exact Mass: 461.15
• IUPAC Name: 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
• SMILES: COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C26H24ClN3O3/c1-17-3-12-24-19(13-17)14-20(25(31)29-24)16-30(15-18-4-10-23(33-2)11-5-18)26(32)28-22-8-6-21(27)7-9-22/h3-14H,15-16H2,1-2H3,(H,28,32)(H,29,31)
• InChIKey: XYWWHJXIQWILIJ-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 74.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.95
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 1449539) is 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

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

The canonical SMILES for 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccc(Cl)cc2)cc1.

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

The InChIKey is XYWWHJXIQWILIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-17-3-12-24-19(13-17)14-20(25(31)29-24)16-30(15-18-4-10-23(33-2)11-5-18)26(32)28-22-8-6-21(27)7-9-22/h3-14H,15-16H2,1-2H3,(H,28,32)(H,29,31).

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

3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 461.95 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 1449539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).