1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea

C24H29FN4O2 — CID 3194659

About 1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea

1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea (PubChem CID 3194659) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea.

Molecular Properties

• Compound Name: 1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea
• PubChem CID: 3194659
• Molecular Formula: C24H29FN4O2
• Molecular Weight: 424.52 g/mol
• Exact Mass: 424.23
• IUPAC Name: 1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea
• SMILES: CCc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccccc3F)cc2c1
• InChI: InChI=1S/C24H29FN4O2/c1-4-17-10-11-21-18(14-17)15-19(23(30)26-21)16-29(13-7-12-28(2)3)24(31)27-22-9-6-5-8-20(22)25/h5-6,8-11,14-15H,4,7,12-13,16H2,1-3H3,(H,26,30)(H,27,31)
• InChIKey: PDZGZZYUFQDWMD-UHFFFAOYSA-N
• XLogP: 4.22
• 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	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea?

The IUPAC name of 1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea (CID 3194659) is 1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea.

What is the SMILES notation for 1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea?

The canonical SMILES for 1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea is CCc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccccc3F)cc2c1.

What is the InChIKey of 1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea?

The InChIKey is PDZGZZYUFQDWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-4-17-10-11-21-18(14-17)15-19(23(30)26-21)16-29(13-7-12-28(2)3)24(31)27-22-9-6-5-8-20(22)25/h5-6,8-11,14-15H,4,7,12-13,16H2,1-3H3,(H,26,30)(H,27,31).

What are the key properties of 1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea?

1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea has a molecular weight of 424.52 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 3194659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).