5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide

C26H34N4O5 — CID 3236263

About 5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide

5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide (PubChem CID 3236263) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide.

Molecular Properties

• Compound Name: 5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
• PubChem CID: 3236263
• Molecular Formula: C26H34N4O5
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.25
• IUPAC Name: 5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
• SMILES: CCCN(CCC)C(=O)Cn1c(=O)n(CCCCC(=O)NCc2ccco2)c(=O)c2ccccc21
• InChI: InChI=1S/C26H34N4O5/c1-3-14-28(15-4-2)24(32)19-30-22-12-6-5-11-21(22)25(33)29(26(30)34)16-8-7-13-23(31)27-18-20-10-9-17-35-20/h5-6,9-12,17H,3-4,7-8,13-16,18-19H2,1-2H3,(H,27,31)
• InChIKey: SFDABERBNMOZND-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 106.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide?

The IUPAC name of 5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide (CID 3236263) is 5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide.

What is the SMILES notation for 5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide?

The canonical SMILES for 5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide is CCCN(CCC)C(=O)Cn1c(=O)n(CCCCC(=O)NCc2ccco2)c(=O)c2ccccc21.

What is the InChIKey of 5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide?

The InChIKey is SFDABERBNMOZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-3-14-28(15-4-2)24(32)19-30-22-12-6-5-11-21(22)25(33)29(26(30)34)16-8-7-13-23(31)27-18-20-10-9-17-35-20/h5-6,9-12,17H,3-4,7-8,13-16,18-19H2,1-2H3,(H,27,31).

What are the key properties of 5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide?

5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide has a molecular weight of 482.58 g/mol, XLogP of 2.89, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide is sourced from PubChem (CID 3236263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).