1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

C18H21FN4O — CID 70887060

About 1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 70887060) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
• PubChem CID: 70887060
• Molecular Formula: C18H21FN4O
• Molecular Weight: 328.39 g/mol
• Exact Mass: 328.17
• IUPAC Name: 1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
• SMILES: Cc1ccc(F)cc1NC(=O)NCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C18H21FN4O/c1-12-4-6-14(19)11-16(12)23-18(24)21-10-8-15-7-5-13-3-2-9-20-17(13)22-15/h4-7,11H,2-3,8-10H2,1H3,(H,20,22)(H2,21,23,24)
• InChIKey: ZRLVLGCXILIYON-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 66.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.39
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?

The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (CID 70887060) is 1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?

The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is Cc1ccc(F)cc1NC(=O)NCCc1ccc2c(n1)NCCC2.

What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?

The InChIKey is ZRLVLGCXILIYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12-4-6-14(19)11-16(12)23-18(24)21-10-8-15-7-5-13-3-2-9-20-17(13)22-15/h4-7,11H,2-3,8-10H2,1H3,(H,20,22)(H2,21,23,24).

What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?

1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea has a molecular weight of 328.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 70887060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).