1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea

C25H23FN4O2 — CID 1462566

About 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea

1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 1462566) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea
• PubChem CID: 1462566
• Molecular Formula: C25H23FN4O2
• Molecular Weight: 430.48 g/mol
• Exact Mass: 430.18
• IUPAC Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea
• SMILES: Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1
• InChI: InChI=1S/C25H23FN4O2/c1-16-10-17(2)20-12-19(24(31)28-23(20)11-16)15-30(14-18-6-5-9-27-13-18)25(32)29-22-8-4-3-7-21(22)26/h3-13H,14-15H2,1-2H3,(H,28,31)(H,29,32)
• InChIKey: GTAOIELEODSYEU-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.48
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea?

The IUPAC name of 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea (CID 1462566) is 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea.

What is the SMILES notation for 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea?

The canonical SMILES for 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea is Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1.

What is the InChIKey of 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea?

The InChIKey is GTAOIELEODSYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-16-10-17(2)20-12-19(24(31)28-23(20)11-16)15-30(14-18-6-5-9-27-13-18)25(32)29-22-8-4-3-7-21(22)26/h3-13H,14-15H2,1-2H3,(H,28,31)(H,29,32).

What are the key properties of 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea?

1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 430.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 1462566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).