3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea

C24H21FN4O3 — CID 1430710

About 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea

3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 1430710) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
• PubChem CID: 1430710
• Molecular Formula: C24H21FN4O3
• Molecular Weight: 432.46 g/mol
• Exact Mass: 432.16
• IUPAC Name: 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
• SMILES: COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccc(F)cc3)cc2c1
• InChI: InChI=1S/C24H21FN4O3/c1-32-21-8-9-22-17(12-21)11-18(23(30)28-22)15-29(14-16-3-2-10-26-13-16)24(31)27-20-6-4-19(25)5-7-20/h2-13H,14-15H2,1H3,(H,27,31)(H,28,30)
• InChIKey: PWKNBTBYJRZZGK-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.46
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?

The IUPAC name of 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea (CID 1430710) is 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea.

What is the SMILES notation for 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?

The canonical SMILES for 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea is COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccc(F)cc3)cc2c1.

What is the InChIKey of 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?

The InChIKey is PWKNBTBYJRZZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-32-21-8-9-22-17(12-21)11-18(23(30)28-22)15-29(14-16-3-2-10-26-13-16)24(31)27-20-6-4-19(25)5-7-20/h2-13H,14-15H2,1H3,(H,27,31)(H,28,30).

What are the key properties of 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?

3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 432.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 1430710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).