3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea

C24H28Cl2N4O2 — CID 42713611

About 3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea

3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea (PubChem CID 42713611) has the molecular formula C24H28Cl2N4O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea.

Molecular Properties

• Compound Name: 3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea
• PubChem CID: 42713611
• Molecular Formula: C24H28Cl2N4O2
• Molecular Weight: 475.42 g/mol
• Exact Mass: 474.16
• IUPAC Name: 3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea
• SMILES: CCCN(C(=O)Nc1ccc(Cl)cc1Cl)C(CC)c1nc2ccccc2c(=O)n1CCC
• InChI: InChI=1S/C24H28Cl2N4O2/c1-4-13-29(24(32)28-20-12-11-16(25)15-18(20)26)21(6-3)22-27-19-10-8-7-9-17(19)23(31)30(22)14-5-2/h7-12,15,21H,4-6,13-14H2,1-3H3,(H,28,32)
• InChIKey: YSMUQCBVLFNIJF-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.42
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea?

The IUPAC name of 3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea (CID 42713611) is 3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea.

What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea?

The canonical SMILES for 3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea is CCCN(C(=O)Nc1ccc(Cl)cc1Cl)C(CC)c1nc2ccccc2c(=O)n1CCC.

What is the InChIKey of 3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea?

The InChIKey is YSMUQCBVLFNIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O2/c1-4-13-29(24(32)28-20-12-11-16(25)15-18(20)26)21(6-3)22-27-19-10-8-7-9-17(19)23(31)30(22)14-5-2/h7-12,15,21H,4-6,13-14H2,1-3H3,(H,28,32).

What are the key properties of 3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea?

3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea has a molecular weight of 475.42 g/mol, XLogP of 6.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea is sourced from PubChem (CID 42713611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).