4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine

C32H48N6O4 — CID 178062169

About 4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine

4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine (PubChem CID 178062169) has the molecular formula C32H48N6O4 and a molecular weight of 580.77 g/mol. Its IUPAC name is 4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine.

Molecular Properties

• Compound Name: 4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine
• PubChem CID: 178062169
• Molecular Formula: C32H48N6O4
• Molecular Weight: 580.77 g/mol
• Exact Mass: 580.37
• IUPAC Name: 4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine
• SMILES: CC(C)COCCOCCN(CCCCc1ccc2c(n1)NCCC2)CCCC(=O)O.Nc1ncnc2ccccc12
• InChI: InChI=1S/C24H41N3O4.C8H7N3/c1-20(2)19-31-18-17-30-16-15-27(14-6-9-23(28)29)13-4-3-8-22-11-10-21-7-5-12-25-24(21)26-22;9-8-6-3-1-2-4-7(6)10-5-11-8/h10-11,20H,3-9,12-19H2,1-2H3,(H,25,26)(H,28,29);1-5H,(H2,9,10,11)
• InChIKey: SDIRXUVGMKGEAR-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 135.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.77
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine?

The IUPAC name of 4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine (CID 178062169) is 4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine.

What is the SMILES notation for 4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine?

The canonical SMILES for 4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine is CC(C)COCCOCCN(CCCCc1ccc2c(n1)NCCC2)CCCC(=O)O.Nc1ncnc2ccccc12.

What is the InChIKey of 4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine?

The InChIKey is SDIRXUVGMKGEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O4.C8H7N3/c1-20(2)19-31-18-17-30-16-15-27(14-6-9-23(28)29)13-4-3-8-22-11-10-21-7-5-12-25-24(21)26-22;9-8-6-3-1-2-4-7(6)10-5-11-8/h10-11,20H,3-9,12-19H2,1-2H3,(H,25,26)(H,28,29);1-5H,(H2,9,10,11).

What are the key properties of 4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine?

4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine has a molecular weight of 580.77 g/mol, XLogP of 4.83, 17 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-(2-methylpropoxy)ethoxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;quinazolin-4-amine is sourced from PubChem (CID 178062169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).