1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

C20H26N4O2 — CID 71590344

About 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 71590344) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
• PubChem CID: 71590344
• Molecular Formula: C20H26N4O2
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.21
• IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
• SMILES: COc1ccc(CCNC(=O)NCCc2ccc3c(n2)NCCC3)cc1
• InChI: InChI=1S/C20H26N4O2/c1-26-18-8-4-15(5-9-18)10-13-22-20(25)23-14-11-17-7-6-16-3-2-12-21-19(16)24-17/h4-9H,2-3,10-14H2,1H3,(H,21,24)(H2,22,23,25)
• InChIKey: MOVSKFIRZCQNNY-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 75.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?

The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (CID 71590344) is 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?

The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is COc1ccc(CCNC(=O)NCCc2ccc3c(n2)NCCC3)cc1.

What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?

The InChIKey is MOVSKFIRZCQNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-18-8-4-15(5-9-18)10-13-22-20(25)23-14-11-17-7-6-16-3-2-12-21-19(16)24-17/h4-9H,2-3,10-14H2,1H3,(H,21,24)(H2,22,23,25).

What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?

1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea has a molecular weight of 354.45 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 71590344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).