2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate

C21H23N2O3- — CID 22347616

About 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate

2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate (PubChem CID 22347616) has the molecular formula C21H23N2O3- and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate.

Molecular Properties

• Compound Name: 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate
• PubChem CID: 22347616
• Molecular Formula: C21H23N2O3-
• Molecular Weight: 351.43 g/mol
• Exact Mass: 351.17
• IUPAC Name: 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate
• SMILES: O=C([O-])CC1CC1c1cccc(OCCc2ccc3c(n2)NCCC3)c1
• InChI: InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)15-3-1-5-18(11-15)26-10-8-17-7-6-14-4-2-9-22-21(14)23-17/h1,3,5-7,11,16,19H,2,4,8-10,12-13H2,(H,22,23)(H,24,25)/p-1
• InChIKey: OCTQRAGMJGKHHA-UHFFFAOYSA-M
• XLogP: 2.30
• TPSA: 74.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.43
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate?

The IUPAC name of 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate (CID 22347616) is 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate.

What is the SMILES notation for 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate?

The canonical SMILES for 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate is O=C([O-])CC1CC1c1cccc(OCCc2ccc3c(n2)NCCC3)c1.

What is the InChIKey of 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate?

The InChIKey is OCTQRAGMJGKHHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)15-3-1-5-18(11-15)26-10-8-17-7-6-14-4-2-9-22-21(14)23-17/h1,3,5-7,11,16,19H,2,4,8-10,12-13H2,(H,22,23)(H,24,25)/p-1.

What are the key properties of 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate?

2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate has a molecular weight of 351.43 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate is sourced from PubChem (CID 22347616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).