1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea

C28H30N4O3 — CID 42720578

About 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea

1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea (PubChem CID 42720578) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea
• PubChem CID: 42720578
• Molecular Formula: C28H30N4O3
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.23
• IUPAC Name: 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea
• SMILES: CCN(C(=O)Nc1ccccc1OC)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1C
• InChI: InChI=1S/C28H30N4O3/c1-6-31(28(34)30-23-13-9-10-14-25(23)35-5)20(4)26-29-22-12-8-7-11-21(22)27(33)32(26)24-17-18(2)15-16-19(24)3/h7-17,20H,6H2,1-5H3,(H,30,34)
• InChIKey: OJJWXUZOAZIBRV-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea?

The IUPAC name of 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea (CID 42720578) is 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea.

What is the SMILES notation for 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea?

The canonical SMILES for 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea is CCN(C(=O)Nc1ccccc1OC)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1C.

What is the InChIKey of 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea?

The InChIKey is OJJWXUZOAZIBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-6-31(28(34)30-23-13-9-10-14-25(23)35-5)20(4)26-29-22-12-8-7-11-21(22)27(33)32(26)24-17-18(2)15-16-19(24)3/h7-17,20H,6H2,1-5H3,(H,30,34).

What are the key properties of 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea?

1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea has a molecular weight of 470.57 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 42720578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).