3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C26H23Cl2N3O2 — CID 3194492

About 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea

3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 3194492) has the molecular formula C26H23Cl2N3O2 and a molecular weight of 480.40 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
• PubChem CID: 3194492
• Molecular Formula: C26H23Cl2N3O2
• Molecular Weight: 480.40 g/mol
• Exact Mass: 479.12
• IUPAC Name: 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
• SMILES: Cc1cc2cc(CN(Cc3ccccc3Cl)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C
• InChI: InChI=1S/C26H23Cl2N3O2/c1-16-10-19-12-20(25(32)30-24(19)11-17(16)2)15-31(14-18-6-3-4-9-23(18)28)26(33)29-22-8-5-7-21(27)13-22/h3-13H,14-15H2,1-2H3,(H,29,33)(H,30,32)
• InChIKey: VXTKCTCUXUCKQF-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.40
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 3194492) is 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

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

The canonical SMILES for 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea is Cc1cc2cc(CN(Cc3ccccc3Cl)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C.

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

The InChIKey is VXTKCTCUXUCKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O2/c1-16-10-19-12-20(25(32)30-24(19)11-17(16)2)15-31(14-18-6-3-4-9-23(18)28)26(33)29-22-8-5-7-21(27)13-22/h3-13H,14-15H2,1-2H3,(H,29,33)(H,30,32).

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

3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 480.40 g/mol, XLogP of 6.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 3194492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).