3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea

C26H32N4O2 — CID 42720179

About 3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea

3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea (PubChem CID 42720179) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea.

Molecular Properties

• Compound Name: 3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
• PubChem CID: 42720179
• Molecular Formula: C26H32N4O2
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.25
• IUPAC Name: 3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
• SMILES: Cc1ccc(-n2c(C(C)N(C)C(=O)NC3CCCCC3)nc3ccccc3c2=O)c(C)c1
• InChI: InChI=1S/C26H32N4O2/c1-17-14-15-23(18(2)16-17)30-24(28-22-13-9-8-12-21(22)25(30)31)19(3)29(4)26(32)27-20-10-6-5-7-11-20/h8-9,12-16,19-20H,5-7,10-11H2,1-4H3,(H,27,32)
• InChIKey: CVBZZIIAESDCHG-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea?

The IUPAC name of 3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea (CID 42720179) is 3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea.

What is the SMILES notation for 3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea?

The canonical SMILES for 3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea is Cc1ccc(-n2c(C(C)N(C)C(=O)NC3CCCCC3)nc3ccccc3c2=O)c(C)c1.

What is the InChIKey of 3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea?

The InChIKey is CVBZZIIAESDCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-17-14-15-23(18(2)16-17)30-24(28-22-13-9-8-12-21(22)25(30)31)19(3)29(4)26(32)27-20-10-6-5-7-11-20/h8-9,12-16,19-20H,5-7,10-11H2,1-4H3,(H,27,32).

What are the key properties of 3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea?

3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea has a molecular weight of 432.57 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea is sourced from PubChem (CID 42720179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).