2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide

C24H30N4O3 — CID 46654985

IUPAC2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3ccccc3n1)C2=O
InChIInChI=1S/C24H30N4O3/c1-4-23(2,3)17-11-13-24(14-12-17)21(30)28(22(31)27-24)15-20(29)26-19-10-9-16-7-5-6-8-18(16)25-19/h5-10,17H,4,11-15H2,1-3H3,(H,27,31)(H,25,26,29)
InChIKeyQXJQUVHNWNTAGT-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.09
Rot. Bonds5

About 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide

2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide (PubChem CID 46654985) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide.

Molecular Properties

Compound Name2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide
PubChem CID46654985
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3ccccc3n1)C2=O
InChIInChI=1S/C24H30N4O3/c1-4-23(2,3)17-11-13-24(14-12-17)21(30)28(22(31)27-24)15-20(29)26-19-10-9-16-7-5-6-8-18(16)25-19/h5-10,17H,4,11-15H2,1-3H3,(H,27,31)(H,25,26,29)
InChIKeyQXJQUVHNWNTAGT-UHFFFAOYSA-N
XLogP4.09
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2471932
N-(4-ethylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987246
N-(4-chlorophenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2116042
N-(2,5-dimethylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 84601209
N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 4799017
methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 56543356
N-(4-ethoxyphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987168
N-(2-aminoethyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide;hydrochloride
CID 119383121
N-[3-(methanesulfonamido)phenyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 30830922
N-(2,3-dihydro-1H-inden-5-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987842
N-(1,3-benzodioxol-5-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2709593
1-[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 31732135

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide?
The IUPAC name of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide (CID 46654985) is 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide.
What is the SMILES notation for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide?
The canonical SMILES for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc3ccccc3n1)C2=O.
What is the InChIKey of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide?
The InChIKey is QXJQUVHNWNTAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-4-23(2,3)17-11-13-24(14-12-17)21(30)28(22(31)27-24)15-20(29)26-19-10-9-16-7-5-6-8-18(16)25-19/h5-10,17H,4,11-15H2,1-3H3,(H,27,31)(H,25,26,29).
What are the key properties of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide?
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide has a molecular weight of 422.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide is sourced from PubChem (CID 46654985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).