3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid

C30H28N4O3 — CID 90744243

About 3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid

3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid (PubChem CID 90744243) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid
• PubChem CID: 90744243
• Molecular Formula: C30H28N4O3
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.22
• IUPAC Name: 3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid
• SMILES: O=C(O)CC(c1cnc2ccccc2c1)n1ccc2cc(OCCc3ccc4c(n3)CCCN4)ccc21
• InChI: InChI=1S/C30H28N4O3/c35-30(36)18-29(22-16-20-4-1-2-5-25(20)32-19-22)34-14-11-21-17-24(8-10-28(21)34)37-15-12-23-7-9-26-27(33-23)6-3-13-31-26/h1-2,4-5,7-11,14,16-17,19,29,31H,3,6,12-13,15,18H2,(H,35,36)
• InChIKey: AZKKSJVIWIROCF-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 89.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid?

The IUPAC name of 3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid (CID 90744243) is 3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid.

What is the SMILES notation for 3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid?

The canonical SMILES for 3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid is O=C(O)CC(c1cnc2ccccc2c1)n1ccc2cc(OCCc3ccc4c(n3)CCCN4)ccc21.

What is the InChIKey of 3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid?

The InChIKey is AZKKSJVIWIROCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3/c35-30(36)18-29(22-16-20-4-1-2-5-25(20)32-19-22)34-14-11-21-17-24(8-10-28(21)34)37-15-12-23-7-9-26-27(33-23)6-3-13-31-26/h1-2,4-5,7-11,14,16-17,19,29,31H,3,6,12-13,15,18H2,(H,35,36).

What are the key properties of 3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid?

3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid has a molecular weight of 492.58 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid is sourced from PubChem (CID 90744243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).