2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C21H25N5O5 — CID 24545838

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1=O
InChIInChI=1S/C21H25N5O5/c1-3-24-17(28)14-6-4-5-7-15(14)25(20(24)31)12-16(27)23-26-18(29)21(22-19(26)30)10-8-13(2)9-11-21/h4-7,13H,3,8-12H2,1-2H3,(H,22,30)(H,23,27)
InChIKeySVJNFODFVGOTLP-UHFFFAOYSA-N
MW427.46 g/mol
LogP0.71
Rot. Bonds4

About 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 24545838) has the molecular formula C21H25N5O5 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID24545838
Molecular FormulaC21H25N5O5
Molecular Weight427.46 g/mol
Exact Mass427.19
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1=O
InChIInChI=1S/C21H25N5O5/c1-3-24-17(28)14-6-4-5-7-15(14)25(20(24)31)12-16(27)23-26-18(29)21(22-19(26)30)10-8-13(2)9-11-21/h4-7,13H,3,8-12H2,1-2H3,(H,22,30)(H,23,27)
InChIKeySVJNFODFVGOTLP-UHFFFAOYSA-N
XLogP0.71
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24545847
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
3-indol-1-yl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 24545908
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-phenylphenyl)acetamide
CID 27802749
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 24545899
N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 43013195
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24545817
benzhydryl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8596083
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55900388
N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 134044696
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 18121435

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 24545838) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1=O.
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is SVJNFODFVGOTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5/c1-3-24-17(28)14-6-4-5-7-15(14)25(20(24)31)12-16(27)23-26-18(29)21(22-19(26)30)10-8-13(2)9-11-21/h4-7,13H,3,8-12H2,1-2H3,(H,22,30)(H,23,27).
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 427.46 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 24545838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).