2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid

C27H28N2O3 — CID 20817441

About 2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid

2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid (PubChem CID 20817441) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid.

Molecular Properties

• Compound Name: 2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
• PubChem CID: 20817441
• Molecular Formula: C27H28N2O3
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.21
• IUPAC Name: 2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
• SMILES: O=C(O)CC1(c2ccccc2)CC1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1
• InChI: InChI=1S/C27H28N2O3/c30-25(31)18-27(21-6-2-1-3-7-21)17-24(27)19-9-12-23(13-10-19)32-16-14-22-11-8-20-5-4-15-28-26(20)29-22/h1-3,6-13,24H,4-5,14-18H2,(H,28,29)(H,30,31)
• InChIKey: NBJXZASLJVKFNT-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?

The IUPAC name of 2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid (CID 20817441) is 2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid.

What is the SMILES notation for 2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?

The canonical SMILES for 2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid is O=C(O)CC1(c2ccccc2)CC1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1.

What is the InChIKey of 2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?

The InChIKey is NBJXZASLJVKFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c30-25(31)18-27(21-6-2-1-3-7-21)17-24(27)19-9-12-23(13-10-19)32-16-14-22-11-8-20-5-4-15-28-26(20)29-22/h1-3,6-13,24H,4-5,14-18H2,(H,28,29)(H,30,31).

What are the key properties of 2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?

2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid has a molecular weight of 428.53 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-phenyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 20817441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).