5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide

C26H32N4O4 — CID 50762797

IUPAC5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)n(CCCCC(=O)NC(C)C)c(=O)c2ccccc21
InChIInChI=1S/C26H32N4O4/c1-4-19-11-5-7-13-21(19)28-24(32)17-30-22-14-8-6-12-20(22)25(33)29(26(30)34)16-10-9-15-23(31)27-18(2)3/h5-8,11-14,18H,4,9-10,15-17H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyBGGSIUIQMBHNPD-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.06
Rot. Bonds10

About 5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide

5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide (PubChem CID 50762797) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
PubChem CID50762797
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)n(CCCCC(=O)NC(C)C)c(=O)c2ccccc21
InChIInChI=1S/C26H32N4O4/c1-4-19-11-5-7-13-21(19)28-24(32)17-30-22-14-8-6-12-20(22)25(33)29(26(30)34)16-10-9-15-23(31)27-18(2)3/h5-8,11-14,18H,4,9-10,15-17H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyBGGSIUIQMBHNPD-UHFFFAOYSA-N
XLogP3.06
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide?
The IUPAC name of 5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide (CID 50762797) is 5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide?
The canonical SMILES for 5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide is CCc1ccccc1NC(=O)Cn1c(=O)n(CCCCC(=O)NC(C)C)c(=O)c2ccccc21.
What is the InChIKey of 5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide?
The InChIKey is BGGSIUIQMBHNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-4-19-11-5-7-13-21(19)28-24(32)17-30-22-14-8-6-12-20(22)25(33)29(26(30)34)16-10-9-15-23(31)27-18(2)3/h5-8,11-14,18H,4,9-10,15-17H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide?
5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide has a molecular weight of 464.57 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide is sourced from PubChem (CID 50762797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).