1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C24H29FN4O2 — CID 3194358

About 1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 3194358) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
• PubChem CID: 3194358
• Molecular Formula: C24H29FN4O2
• Molecular Weight: 424.52 g/mol
• Exact Mass: 424.23
• IUPAC Name: 1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
• SMILES: CCN(CC)CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1
• InChI: InChI=1S/C24H29FN4O2/c1-4-28(5-2)13-14-29(24(31)26-21-11-9-20(25)10-12-21)16-19-15-18-8-6-7-17(3)22(18)27-23(19)30/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,26,31)(H,27,30)
• InChIKey: BTFWHSPRDGWAGC-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 68.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.52
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?

The IUPAC name of 1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 3194358) is 1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?

The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is CCN(CC)CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1.

What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?

The InChIKey is BTFWHSPRDGWAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-4-28(5-2)13-14-29(24(31)26-21-11-9-20(25)10-12-21)16-19-15-18-8-6-7-17(3)22(18)27-23(19)30/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,26,31)(H,27,30).

What are the key properties of 1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?

1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 424.52 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 3194358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).