3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid

C25H25ClN2O3 — CID 126618904

About 3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid

3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid (PubChem CID 126618904) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
• PubChem CID: 126618904
• Molecular Formula: C25H25ClN2O3
• Molecular Weight: 436.94 g/mol
• Exact Mass: 436.16
• IUPAC Name: 3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
• SMILES: Cc1cc(-c2ccc3c(n2)CCN(CCC(=O)O)C3)ccc1OCc1ccc(Cl)cc1
• InChI: InChI=1S/C25H25ClN2O3/c1-17-14-19(5-9-24(17)31-16-18-2-6-21(26)7-3-18)22-8-4-20-15-28(13-11-25(29)30)12-10-23(20)27-22/h2-9,14H,10-13,15-16H2,1H3,(H,29,30)
• InChIKey: NNTMZYUSXPQWSU-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.94
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid?

The IUPAC name of 3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid (CID 126618904) is 3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid.

What is the SMILES notation for 3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid?

The canonical SMILES for 3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid is Cc1cc(-c2ccc3c(n2)CCN(CCC(=O)O)C3)ccc1OCc1ccc(Cl)cc1.

What is the InChIKey of 3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid?

The InChIKey is NNTMZYUSXPQWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c1-17-14-19(5-9-24(17)31-16-18-2-6-21(26)7-3-18)22-8-4-20-15-28(13-11-25(29)30)12-10-23(20)27-22/h2-9,14H,10-13,15-16H2,1H3,(H,29,30).

What are the key properties of 3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid?

3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid has a molecular weight of 436.94 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid is sourced from PubChem (CID 126618904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).