3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid

C30H35N3O3 — CID 58230523

About 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid

3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid (PubChem CID 58230523) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid
• PubChem CID: 58230523
• Molecular Formula: C30H35N3O3
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.27
• IUPAC Name: 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid
• SMILES: O=C(O)CC(c1cnc2ccccc2c1)C1CCN(C(=O)CCCc2ccc3c(n2)CCCC3)CC1
• InChI: InChI=1S/C30H35N3O3/c34-29(11-5-8-25-13-12-22-6-1-4-10-28(22)32-25)33-16-14-21(15-17-33)26(19-30(35)36)24-18-23-7-2-3-9-27(23)31-20-24/h2-3,7,9,12-13,18,20-21,26H,1,4-6,8,10-11,14-17,19H2,(H,35,36)
• InChIKey: UDOSDSSFTNGNGY-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 83.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid?

The IUPAC name of 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid (CID 58230523) is 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid.

What is the SMILES notation for 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid?

The canonical SMILES for 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid is O=C(O)CC(c1cnc2ccccc2c1)C1CCN(C(=O)CCCc2ccc3c(n2)CCCC3)CC1.

What is the InChIKey of 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid?

The InChIKey is UDOSDSSFTNGNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c34-29(11-5-8-25-13-12-22-6-1-4-10-28(22)32-25)33-16-14-21(15-17-33)26(19-30(35)36)24-18-23-7-2-3-9-27(23)31-20-24/h2-3,7,9,12-13,18,20-21,26H,1,4-6,8,10-11,14-17,19H2,(H,35,36).

What are the key properties of 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid?

3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid has a molecular weight of 485.63 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butanoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 58230523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).