5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide

C28H32N4O5 — CID 50763024

About 5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide

5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide (PubChem CID 50763024) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is 5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide.

Molecular Properties

• Compound Name: 5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
• PubChem CID: 50763024
• Molecular Formula: C28H32N4O5
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.24
• IUPAC Name: 5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
• SMILES: CC(=O)c1cccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c3ccccc32)c1
• InChI: InChI=1S/C28H32N4O5/c1-19(33)20-9-8-12-22(17-20)30-26(35)18-32-24-14-5-4-13-23(24)27(36)31(28(32)37)16-7-6-15-25(34)29-21-10-2-3-11-21/h4-5,8-9,12-14,17,21H,2-3,6-7,10-11,15-16,18H2,1H3,(H,29,34)(H,30,35)
• InChIKey: SJOAEGBCPGEEMU-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 119.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
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-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide?

The IUPAC name of 5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide (CID 50763024) is 5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide.

What is the SMILES notation for 5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide?

The canonical SMILES for 5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide is CC(=O)c1cccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c3ccccc32)c1.

What is the InChIKey of 5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide?

The InChIKey is SJOAEGBCPGEEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-19(33)20-9-8-12-22(17-20)30-26(35)18-32-24-14-5-4-13-23(24)27(36)31(28(32)37)16-7-6-15-25(34)29-21-10-2-3-11-21/h4-5,8-9,12-14,17,21H,2-3,6-7,10-11,15-16,18H2,1H3,(H,29,34)(H,30,35).

What are the key properties of 5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide?

5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide has a molecular weight of 504.59 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide is sourced from PubChem (CID 50763024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).