3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea

C29H32N4O2 — CID 42718299

About 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea

3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea (PubChem CID 42718299) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea.

Molecular Properties

• Compound Name: 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
• PubChem CID: 42718299
• Molecular Formula: C29H32N4O2
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.25
• IUPAC Name: 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
• SMILES: Cc1cccc(-n2c(C(C)N(CC(C)C)C(=O)Nc3ccccc3C)nc3ccccc3c2=O)c1
• InChI: InChI=1S/C29H32N4O2/c1-19(2)18-32(29(35)31-25-15-8-6-12-21(25)4)22(5)27-30-26-16-9-7-14-24(26)28(34)33(27)23-13-10-11-20(3)17-23/h6-17,19,22H,18H2,1-5H3,(H,31,35)
• InChIKey: SYSIWGPDRHFGCI-UHFFFAOYSA-N
• XLogP: 6.25
• 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	6.25
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]ethyl]-1-(2-methylpropyl)urea?

The IUPAC name of 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea (CID 42718299) is 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea.

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

The canonical SMILES for 3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea is Cc1cccc(-n2c(C(C)N(CC(C)C)C(=O)Nc3ccccc3C)nc3ccccc3c2=O)c1.

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

The InChIKey is SYSIWGPDRHFGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-19(2)18-32(29(35)31-25-15-8-6-12-21(25)4)22(5)27-30-26-16-9-7-14-24(26)28(34)33(27)23-13-10-11-20(3)17-23/h6-17,19,22H,18H2,1-5H3,(H,31,35).

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

3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea has a molecular weight of 468.60 g/mol, XLogP of 6.25, 6 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]ethyl]-1-(2-methylpropyl)urea is sourced from PubChem (CID 42718299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).