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

C25H33N5O3 — CID 42714474

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

1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea (PubChem CID 42714474) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea
• PubChem CID: 42714474
• Molecular Formula: C25H33N5O3
• Molecular Weight: 451.57 g/mol
• Exact Mass: 451.26
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea
• SMILES: CCC(c1nc2ccccc2c(=O)n1CC)N(CCN(C)C)C(=O)Nc1ccccc1OC
• InChI: InChI=1S/C25H33N5O3/c1-6-21(23-26-19-13-9-8-12-18(19)24(31)29(23)7-2)30(17-16-28(3)4)25(32)27-20-14-10-11-15-22(20)33-5/h8-15,21H,6-7,16-17H2,1-5H3,(H,27,32)
• InChIKey: LVTKZIAQKKEVEM-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.57
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea (CID 42714474) is 1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea.

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

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea is CCC(c1nc2ccccc2c(=O)n1CC)N(CCN(C)C)C(=O)Nc1ccccc1OC.

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

The InChIKey is LVTKZIAQKKEVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-6-21(23-26-19-13-9-8-12-18(19)24(31)29(23)7-2)30(17-16-28(3)4)25(32)27-20-14-10-11-15-22(20)33-5/h8-15,21H,6-7,16-17H2,1-5H3,(H,27,32).

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

1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea has a molecular weight of 451.57 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 42714474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).