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

C34H34N4O4 — CID 3412674

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

3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea (PubChem CID 3412674) has the molecular formula C34H34N4O4 and a molecular weight of 562.67 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea.

Molecular Properties

• Compound Name: 3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
• PubChem CID: 3412674
• Molecular Formula: C34H34N4O4
• Molecular Weight: 562.67 g/mol
• Exact Mass: 562.26
• IUPAC Name: 3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCc1ccccc1)C(=O)Nc1cccc(OC)c1
• InChI: InChI=1S/C34H34N4O4/c1-4-31(32-36-30-16-9-8-15-29(30)33(39)38(32)26-17-19-27(41-2)20-18-26)37(22-21-24-11-6-5-7-12-24)34(40)35-25-13-10-14-28(23-25)42-3/h5-20,23,31H,4,21-22H2,1-3H3,(H,35,40)
• InChIKey: MQSDKMHKARRJLS-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.67
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea (CID 3412674) is 3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea.

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

The canonical SMILES for 3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea is CCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCc1ccccc1)C(=O)Nc1cccc(OC)c1.

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

The InChIKey is MQSDKMHKARRJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O4/c1-4-31(32-36-30-16-9-8-15-29(30)33(39)38(32)26-17-19-27(41-2)20-18-26)37(22-21-24-11-6-5-7-12-24)34(40)35-25-13-10-14-28(23-25)42-3/h5-20,23,31H,4,21-22H2,1-3H3,(H,35,40).

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

3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea has a molecular weight of 562.67 g/mol, XLogP of 6.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea is sourced from PubChem (CID 3412674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).