3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid

C24H23ClN2O3 — CID 126619039

About 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid

3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid (PubChem CID 126619039) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid
• PubChem CID: 126619039
• Molecular Formula: C24H23ClN2O3
• Molecular Weight: 422.91 g/mol
• Exact Mass: 422.14
• IUPAC Name: 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid
• SMILES: O=C(O)CCN1CCc2cc(-c3ccc(OCc4cccc(Cl)c4)cc3)ncc2C1
• InChI: InChI=1S/C24H23ClN2O3/c25-21-3-1-2-17(12-21)16-30-22-6-4-18(5-7-22)23-13-19-8-10-27(11-9-24(28)29)15-20(19)14-26-23/h1-7,12-14H,8-11,15-16H2,(H,28,29)
• InChIKey: IZYBCUJWIAYZMV-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.91
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid?

The IUPAC name of 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid (CID 126619039) is 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid.

What is the SMILES notation for 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid?

The canonical SMILES for 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid is O=C(O)CCN1CCc2cc(-c3ccc(OCc4cccc(Cl)c4)cc3)ncc2C1.

What is the InChIKey of 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid?

The InChIKey is IZYBCUJWIAYZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c25-21-3-1-2-17(12-21)16-30-22-6-4-18(5-7-22)23-13-19-8-10-27(11-9-24(28)29)15-20(19)14-26-23/h1-7,12-14H,8-11,15-16H2,(H,28,29).

What are the key properties of 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid?

3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid has a molecular weight of 422.91 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propanoic acid is sourced from PubChem (CID 126619039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).