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

C26H24ClN3O4 — CID 1430695

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

3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea (PubChem CID 1430695) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea
• PubChem CID: 1430695
• Molecular Formula: C26H24ClN3O4
• Molecular Weight: 477.95 g/mol
• Exact Mass: 477.15
• IUPAC Name: 3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea
• SMILES: COc1ccc(CN(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)Nc2cccc(Cl)c2)cc1
• InChI: InChI=1S/C26H24ClN3O4/c1-33-22-8-6-17(7-9-22)15-30(26(32)28-21-5-3-4-20(27)14-21)16-19-12-18-13-23(34-2)10-11-24(18)29-25(19)31/h3-14H,15-16H2,1-2H3,(H,28,32)(H,29,31)
• InChIKey: VUAWMKOLJJMHRS-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 83.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.95
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea (CID 1430695) is 3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea.

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

The canonical SMILES for 3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea is COc1ccc(CN(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)Nc2cccc(Cl)c2)cc1.

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

The InChIKey is VUAWMKOLJJMHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c1-33-22-8-6-17(7-9-22)15-30(26(32)28-21-5-3-4-20(27)14-21)16-19-12-18-13-23(34-2)10-11-24(18)29-25(19)31/h3-14H,15-16H2,1-2H3,(H,28,32)(H,29,31).

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

3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea has a molecular weight of 477.95 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 1430695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).