5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide

C20H21N3O4 — CID 3241818

IUPAC5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(NC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-27-15-11-9-14(10-12-15)21-18(24)8-4-5-13-23-19(25)16-6-2-3-7-17(16)22-20(23)26/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,21,24)(H,22,26)
InChIKeyWIKDROXNEUOCEQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.51
Rot. Bonds7

About 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide

5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide (PubChem CID 3241818) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide
PubChem CID3241818
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(NC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-27-15-11-9-14(10-12-15)21-18(24)8-4-5-13-23-19(25)16-6-2-3-7-17(16)22-20(23)26/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,21,24)(H,22,26)
InChIKeyWIKDROXNEUOCEQ-UHFFFAOYSA-N
XLogP2.51
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide 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-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide?
The IUPAC name of 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide (CID 3241818) is 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide?
The canonical SMILES for 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide is COc1ccc(NC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide?
The InChIKey is WIKDROXNEUOCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-27-15-11-9-14(10-12-15)21-18(24)8-4-5-13-23-19(25)16-6-2-3-7-17(16)22-20(23)26/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide?
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide has a molecular weight of 367.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 3241818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).