3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea

C24H30ClN5O2 — CID 42714465

About 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea

3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea (PubChem CID 42714465) has the molecular formula C24H30ClN5O2 and a molecular weight of 455.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
• PubChem CID: 42714465
• Molecular Formula: C24H30ClN5O2
• Molecular Weight: 455.99 g/mol
• Exact Mass: 455.21
• IUPAC Name: 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
• SMILES: CCC(c1nc2ccccc2c(=O)n1CC)N(CCN(C)C)C(=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C24H30ClN5O2/c1-5-21(22-27-20-10-8-7-9-19(20)23(31)29(22)6-2)30(16-15-28(3)4)24(32)26-18-13-11-17(25)12-14-18/h7-14,21H,5-6,15-16H2,1-4H3,(H,26,32)
• InChIKey: LWDAJKJOWVDPOA-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.99
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea (CID 42714465) is 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea.

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

The canonical SMILES for 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea is CCC(c1nc2ccccc2c(=O)n1CC)N(CCN(C)C)C(=O)Nc1ccc(Cl)cc1.

What is the InChIKey of 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?

The InChIKey is LWDAJKJOWVDPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O2/c1-5-21(22-27-20-10-8-7-9-19(20)23(31)29(22)6-2)30(16-15-28(3)4)24(32)26-18-13-11-17(25)12-14-18/h7-14,21H,5-6,15-16H2,1-4H3,(H,26,32).

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

3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea has a molecular weight of 455.99 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea is sourced from PubChem (CID 42714465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).