1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea

C23H27FN4O2 — CID 1467563

About 1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea

1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea (PubChem CID 1467563) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea
• PubChem CID: 1467563
• Molecular Formula: C23H27FN4O2
• Molecular Weight: 410.49 g/mol
• Exact Mass: 410.21
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea
• SMILES: Cc1ccc2cc(CN(CCN(C)C)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1C
• InChI: InChI=1S/C23H27FN4O2/c1-15-9-10-17-13-18(22(29)26-21(17)16(15)2)14-28(12-11-27(3)4)23(30)25-20-8-6-5-7-19(20)24/h5-10,13H,11-12,14H2,1-4H3,(H,25,30)(H,26,29)
• InChIKey: MEWRJFKMIWTFSD-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 68.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.49
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea?

The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea (CID 1467563) is 1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea.

What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea?

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea is Cc1ccc2cc(CN(CCN(C)C)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1C.

What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea?

The InChIKey is MEWRJFKMIWTFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-15-9-10-17-13-18(22(29)26-21(17)16(15)2)14-28(12-11-27(3)4)23(30)25-20-8-6-5-7-19(20)24/h5-10,13H,11-12,14H2,1-4H3,(H,25,30)(H,26,29).

What are the key properties of 1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea?

1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea has a molecular weight of 410.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 1467563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).