3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea

C28H30N4O5 — CID 42722811

About 3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea

3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea (PubChem CID 42722811) has the molecular formula C28H30N4O5 and a molecular weight of 502.57 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea.

Molecular Properties

• Compound Name: 3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
• PubChem CID: 42722811
• Molecular Formula: C28H30N4O5
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.22
• IUPAC Name: 3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(C)C(=O)Nc1ccc(OC)cc1OC
• InChI: InChI=1S/C28H30N4O5/c1-6-22(31(2)28(34)30-21-16-15-18(35-3)17-25(21)37-5)26-29-20-12-8-7-11-19(20)27(33)32(26)23-13-9-10-14-24(23)36-4/h7-17,22H,6H2,1-5H3,(H,30,34)
• InChIKey: JJKJPUULZIZBES-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea?

The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea (CID 42722811) is 3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea.

What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea?

The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(C)C(=O)Nc1ccc(OC)cc1OC.

What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea?

The InChIKey is JJKJPUULZIZBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O5/c1-6-22(31(2)28(34)30-21-16-15-18(35-3)17-25(21)37-5)26-29-20-12-8-7-11-19(20)27(33)32(26)23-13-9-10-14-24(23)36-4/h7-17,22H,6H2,1-5H3,(H,30,34).

What are the key properties of 3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea?

3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea has a molecular weight of 502.57 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea is sourced from PubChem (CID 42722811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).