3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea

C34H34N4O2 — CID 42718685

About 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea

3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea (PubChem CID 42718685) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea.

Molecular Properties

• Compound Name: 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
• PubChem CID: 42718685
• Molecular Formula: C34H34N4O2
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.27
• IUPAC Name: 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(CCc1ccccc1)C(=O)Nc1ccccc1C
• InChI: InChI=1S/C34H34N4O2/c1-4-31(32-35-30-20-11-9-18-28(30)33(39)38(32)27-17-12-13-24(2)23-27)37(22-21-26-15-6-5-7-16-26)34(40)36-29-19-10-8-14-25(29)3/h5-20,23,31H,4,21-22H2,1-3H3,(H,36,40)
• InChIKey: PZEJFGNAEGLZLZ-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea (CID 42718685) is 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea.

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

The canonical SMILES for 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea is CCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(CCc1ccccc1)C(=O)Nc1ccccc1C.

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

The InChIKey is PZEJFGNAEGLZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-4-31(32-35-30-20-11-9-18-28(30)33(39)38(32)27-17-12-13-24(2)23-27)37(22-21-26-15-6-5-7-16-26)34(40)36-29-19-10-8-14-25(29)3/h5-20,23,31H,4,21-22H2,1-3H3,(H,36,40).

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

3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea has a molecular weight of 530.67 g/mol, XLogP of 7.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea is sourced from PubChem (CID 42718685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).