3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea

C26H34N4O2 — CID 42712537

About 3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea

3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea (PubChem CID 42712537) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea
• PubChem CID: 42712537
• Molecular Formula: C26H34N4O2
• Molecular Weight: 434.58 g/mol
• Exact Mass: 434.27
• IUPAC Name: 3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea
• SMILES: CCN(C(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)c1nc2ccccc2c(=O)n1C
• InChI: InChI=1S/C26H34N4O2/c1-8-30(18(6)24-27-22-15-10-9-12-21(22)25(31)29(24)7)26(32)28-23-19(16(2)3)13-11-14-20(23)17(4)5/h9-18H,8H2,1-7H3,(H,28,32)
• InChIKey: OVGWMIWWZXHNMI-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.58
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea?

The IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea (CID 42712537) is 3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea.

What is the SMILES notation for 3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea?

The canonical SMILES for 3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea is CCN(C(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)c1nc2ccccc2c(=O)n1C.

What is the InChIKey of 3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea?

The InChIKey is OVGWMIWWZXHNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-8-30(18(6)24-27-22-15-10-9-12-21(22)25(31)29(24)7)26(32)28-23-19(16(2)3)13-11-14-20(23)17(4)5/h9-18H,8H2,1-7H3,(H,28,32).

What are the key properties of 3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea?

3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea has a molecular weight of 434.58 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea is sourced from PubChem (CID 42712537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).