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

C20H26N4O2 — CID 71590430

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

1-(2-propan-2-yloxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 71590430) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-(2-propan-2-yloxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
• PubChem CID: 71590430
• Molecular Formula: C20H26N4O2
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.21
• IUPAC Name: 1-(2-propan-2-yloxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
• SMILES: CC(C)Oc1ccccc1NC(=O)NCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C20H26N4O2/c1-14(2)26-18-8-4-3-7-17(18)24-20(25)22-13-11-16-10-9-15-6-5-12-21-19(15)23-16/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,21,23)(H2,22,24,25)
• InChIKey: IBFHHPQDTDKWGV-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 75.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(2-propan-2-yloxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (CID 71590430) is 1-(2-propan-2-yloxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

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

The canonical SMILES for 1-(2-propan-2-yloxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is CC(C)Oc1ccccc1NC(=O)NCCc1ccc2c(n1)NCCC2.

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

The InChIKey is IBFHHPQDTDKWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(2)26-18-8-4-3-7-17(18)24-20(25)22-13-11-16-10-9-15-6-5-12-21-19(15)23-16/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,21,23)(H2,22,24,25).

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

1-(2-propan-2-yloxyphenyl)-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 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-propan-2-yloxyphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 71590430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).