1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea

C23H18F2N4O3 — CID 22106152

About 1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea

1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea (PubChem CID 22106152) has the molecular formula C23H18F2N4O3 and a molecular weight of 436.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea.

Molecular Properties

• Compound Name: 1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea
• PubChem CID: 22106152
• Molecular Formula: C23H18F2N4O3
• Molecular Weight: 436.42 g/mol
• Exact Mass: 436.13
• IUPAC Name: 1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea
• SMILES: COc1cccc(-c2c(NC(=O)Nc3ccc(F)cc3F)c(=O)n(C)c3ncccc23)c1
• InChI: InChI=1S/C23H18F2N4O3/c1-29-21-16(7-4-10-26-21)19(13-5-3-6-15(11-13)32-2)20(22(29)30)28-23(31)27-18-9-8-14(24)12-17(18)25/h3-12H,1-2H3,(H2,27,28,31)
• InChIKey: BPJZADYCXTWCGU-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.42
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea?

The IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea (CID 22106152) is 1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea.

What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea?

The canonical SMILES for 1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea is COc1cccc(-c2c(NC(=O)Nc3ccc(F)cc3F)c(=O)n(C)c3ncccc23)c1.

What is the InChIKey of 1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea?

The InChIKey is BPJZADYCXTWCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3/c1-29-21-16(7-4-10-26-21)19(13-5-3-6-15(11-13)32-2)20(22(29)30)28-23(31)27-18-9-8-14(24)12-17(18)25/h3-12H,1-2H3,(H2,27,28,31).

What are the key properties of 1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea?

1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea has a molecular weight of 436.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea is sourced from PubChem (CID 22106152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).