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

C26H32N4O5 — CID 50762752

IUPAC5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
SMILESCOc1cccc(CNC(=O)Cn2c(=O)n(CCCCC(=O)NC(C)C)c(=O)c3ccccc32)c1
InChIInChI=1S/C26H32N4O5/c1-18(2)28-23(31)13-6-7-14-29-25(33)21-11-4-5-12-22(21)30(26(29)34)17-24(32)27-16-19-9-8-10-20(15-19)35-3/h4-5,8-12,15,18H,6-7,13-14,16-17H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyJXOVWYMIJFSJFK-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.18
Rot. Bonds11

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

5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide (PubChem CID 50762752) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
PubChem CID50762752
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
SMILESCOc1cccc(CNC(=O)Cn2c(=O)n(CCCCC(=O)NC(C)C)c(=O)c3ccccc32)c1
InChIInChI=1S/C26H32N4O5/c1-18(2)28-23(31)13-6-7-14-29-25(33)21-11-4-5-12-22(21)30(26(29)34)17-24(32)27-16-19-9-8-10-20(15-19)35-3/h4-5,8-12,15,18H,6-7,13-14,16-17H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyJXOVWYMIJFSJFK-UHFFFAOYSA-N
XLogP2.18
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[1-[2-[(3-methoxyphenyl)methylamino]-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

Related Compounds

5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide
CID 27371259
5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
CID 50762956
5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762808
methyl 4-[[2-[2,4-dioxo-3-[5-oxo-5-(propan-2-ylamino)pentyl]quinazolin-1-yl]acetyl]amino]benzoate
CID 27371261
5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762797
N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50763044
N-(1,3-benzodioxol-5-ylmethyl)-4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 15989362
5-[1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762906
5-[2,4-dioxo-1-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]quinazolin-3-yl]-N-(2-methylpropyl)pentanamide
CID 50763343
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53062953
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 42810869
N-(3-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030708

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide?
The IUPAC name of 5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide (CID 50762752) is 5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide?
The canonical SMILES for 5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide is COc1cccc(CNC(=O)Cn2c(=O)n(CCCCC(=O)NC(C)C)c(=O)c3ccccc32)c1.
What is the InChIKey of 5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide?
The InChIKey is JXOVWYMIJFSJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-18(2)28-23(31)13-6-7-14-29-25(33)21-11-4-5-12-22(21)30(26(29)34)17-24(32)27-16-19-9-8-10-20(15-19)35-3/h4-5,8-12,15,18H,6-7,13-14,16-17H2,1-3H3,(H,27,32)(H,28,31).
What are the key properties of 5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide?
5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide has a molecular weight of 480.57 g/mol, XLogP of 2.18, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide is sourced from PubChem (CID 50762752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).