[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate

C24H30N4O6 — CID 45355023

IUPAC[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
SMILESCC(OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C24H30N4O6/c1-15(19(30)28-17-10-5-4-9-16(17)25-20(31)23(28,2)3)34-18(29)11-8-14-27-21(32)24(26-22(27)33)12-6-7-13-24/h4-5,9-10,15H,6-8,11-14H2,1-3H3,(H,25,31)(H,26,33)
InChIKeyBUHRAITXMZAYMP-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.33
Rot. Bonds6

About [1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate

[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate (PubChem CID 45355023) has the molecular formula C24H30N4O6 and a molecular weight of 470.53 g/mol. Its IUPAC name is [1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate.

Molecular Properties

Compound Name[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
PubChem CID45355023
Molecular FormulaC24H30N4O6
Molecular Weight470.53 g/mol
Exact Mass470.22
IUPAC Name[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
SMILESCC(OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C24H30N4O6/c1-15(19(30)28-17-10-5-4-9-16(17)25-20(31)23(28,2)3)34-18(29)11-8-14-27-21(32)24(26-22(27)33)12-6-7-13-24/h4-5,9-10,15H,6-8,11-14H2,1-3H3,(H,25,31)(H,26,33)
InChIKeyBUHRAITXMZAYMP-UHFFFAOYSA-N
XLogP2.33
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate?
The IUPAC name of [1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate (CID 45355023) is [1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate.
What is the SMILES notation for [1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate?
The canonical SMILES for [1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate is CC(OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)N1c2ccccc2NC(=O)C1(C)C.
What is the InChIKey of [1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate?
The InChIKey is BUHRAITXMZAYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O6/c1-15(19(30)28-17-10-5-4-9-16(17)25-20(31)23(28,2)3)34-18(29)11-8-14-27-21(32)24(26-22(27)33)12-6-7-13-24/h4-5,9-10,15H,6-8,11-14H2,1-3H3,(H,25,31)(H,26,33).
What are the key properties of [1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate?
[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate has a molecular weight of 470.53 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate is sourced from PubChem (CID 45355023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).