1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(4-methylphenyl)urea

C29H32N4O2 — CID 5031532

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

1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(4-methylphenyl)urea (PubChem CID 5031532) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(4-methylphenyl)urea.

Molecular Properties

• Compound Name: 1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(4-methylphenyl)urea
• PubChem CID: 5031532
• Molecular Formula: C29H32N4O2
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.25
• IUPAC Name: 1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(4-methylphenyl)urea
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1)N(CC)C(=O)Nc1ccc(C)cc1
• InChI: InChI=1S/C29H32N4O2/c1-6-26(32(7-2)29(35)30-22-15-12-19(3)13-16-22)27-31-25-11-9-8-10-24(25)28(34)33(27)23-17-14-20(4)21(5)18-23/h8-18,26H,6-7H2,1-5H3,(H,30,35)
• InChIKey: UJNUHFAFGQQJDC-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(4-methylphenyl)urea (CID 5031532) is 1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(4-methylphenyl)urea.

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

The canonical SMILES for 1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(4-methylphenyl)urea is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1)N(CC)C(=O)Nc1ccc(C)cc1.

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

The InChIKey is UJNUHFAFGQQJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-6-26(32(7-2)29(35)30-22-15-12-19(3)13-16-22)27-31-25-11-9-8-10-24(25)28(34)33(27)23-17-14-20(4)21(5)18-23/h8-18,26H,6-7H2,1-5H3,(H,30,35).

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

1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(4-methylphenyl)urea has a molecular weight of 468.60 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(4-methylphenyl)urea is sourced from PubChem (CID 5031532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).