N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide

C17H17N5O3 — CID 9441418

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cnc2ccccc2n1
InChIInChI=1S/C17H17N5O3/c23-14(13-10-18-11-6-2-3-7-12(11)19-13)21-22-15(24)17(20-16(22)25)8-4-1-5-9-17/h2-3,6-7,10H,1,4-5,8-9H2,(H,20,25)(H,21,23)
InChIKeyJMGJBYXUKZUBOB-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.53
Rot. Bonds2

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide (PubChem CID 9441418) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide
PubChem CID9441418
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cnc2ccccc2n1
InChIInChI=1S/C17H17N5O3/c23-14(13-10-18-11-6-2-3-7-12(11)19-13)21-22-15(24)17(20-16(22)25)8-4-1-5-9-17/h2-3,6-7,10H,1,4-5,8-9H2,(H,20,25)(H,21,23)
InChIKeyJMGJBYXUKZUBOB-UHFFFAOYSA-N
XLogP1.53
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide (CID 9441418) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide is O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide?
The InChIKey is JMGJBYXUKZUBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-14(13-10-18-11-6-2-3-7-12(11)19-13)21-22-15(24)17(20-16(22)25)8-4-1-5-9-17/h2-3,6-7,10H,1,4-5,8-9H2,(H,20,25)(H,21,23).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 9441418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).