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

C26H34N4O3 — CID 4032310

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

1-[2,6-di(propan-2-yl)phenyl]-3-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea (PubChem CID 4032310) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea.

Molecular Properties

• Compound Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
• PubChem CID: 4032310
• Molecular Formula: C26H34N4O3
• Molecular Weight: 450.58 g/mol
• Exact Mass: 450.26
• IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
• SMILES: COCCn1c(C(C)NC(=O)Nc2c(C(C)C)cccc2C(C)C)nc2ccccc2c1=O
• InChI: InChI=1S/C26H34N4O3/c1-16(2)19-11-9-12-20(17(3)4)23(19)29-26(32)27-18(5)24-28-22-13-8-7-10-21(22)25(31)30(24)14-15-33-6/h7-13,16-18H,14-15H2,1-6H3,(H2,27,29,32)
• InChIKey: CUJDKGPNGPIUNI-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.58
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea (CID 4032310) is 1-[2,6-di(propan-2-yl)phenyl]-3-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea.

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

The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea is COCCn1c(C(C)NC(=O)Nc2c(C(C)C)cccc2C(C)C)nc2ccccc2c1=O.

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

The InChIKey is CUJDKGPNGPIUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-16(2)19-11-9-12-20(17(3)4)23(19)29-26(32)27-18(5)24-28-22-13-8-7-10-21(22)25(31)30(24)14-15-33-6/h7-13,16-18H,14-15H2,1-6H3,(H2,27,29,32).

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

1-[2,6-di(propan-2-yl)phenyl]-3-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea has a molecular weight of 450.58 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea is sourced from PubChem (CID 4032310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).