5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide

C25H36N4O4 — CID 74536338

IUPAC5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide
SMILESCCCNC(=O)CCCCN1C(=O)C2CCCCC2N(CC(=O)Nc2cccc(C)c2)C1=O
InChIInChI=1S/C25H36N4O4/c1-3-14-26-22(30)13-6-7-15-28-24(32)20-11-4-5-12-21(20)29(25(28)33)17-23(31)27-19-10-8-9-18(2)16-19/h8-10,16,20-21H,3-7,11-15,17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyHKQBFBJIAKHBNZ-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.45
Rot. Bonds10

About 5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide

5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide (PubChem CID 74536338) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is 5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide.

Molecular Properties

Compound Name5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide
PubChem CID74536338
Molecular FormulaC25H36N4O4
Molecular Weight456.59 g/mol
Exact Mass456.27
IUPAC Name5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide
SMILESCCCNC(=O)CCCCN1C(=O)C2CCCCC2N(CC(=O)Nc2cccc(C)c2)C1=O
InChIInChI=1S/C25H36N4O4/c1-3-14-26-22(30)13-6-7-15-28-24(32)20-11-4-5-12-21(20)29(25(28)33)17-23(31)27-19-10-8-9-18(2)16-19/h8-10,16,20-21H,3-7,11-15,17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyHKQBFBJIAKHBNZ-UHFFFAOYSA-N
XLogP3.45
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide 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-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-phenylpentanamide
CID 75545425
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
4-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide
CID 156591345
2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 156589639
2-(3-benzyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 156589849
N-(1,3-benzodioxol-5-ylmethyl)-4-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]butanamide
CID 156590072
N-(furan-2-ylmethyl)-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]pentanamide
CID 75545209
N-(1,3-benzodioxol-5-ylmethyl)-3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]propanamide
CID 75185759
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-acetamidophenyl)propanamide
CID 2666380
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-(3-methylphenyl)acetamide
CID 98232283
2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide
CID 156589664
2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 40842843

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide?
The IUPAC name of 5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide (CID 74536338) is 5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide.
What is the SMILES notation for 5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide?
The canonical SMILES for 5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide is CCCNC(=O)CCCCN1C(=O)C2CCCCC2N(CC(=O)Nc2cccc(C)c2)C1=O.
What is the InChIKey of 5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide?
The InChIKey is HKQBFBJIAKHBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O4/c1-3-14-26-22(30)13-6-7-15-28-24(32)20-11-4-5-12-21(20)29(25(28)33)17-23(31)27-19-10-8-9-18(2)16-19/h8-10,16,20-21H,3-7,11-15,17H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide?
5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide has a molecular weight of 456.59 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide is sourced from PubChem (CID 74536338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).