1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

C21H19N5O5 — CID 40956677

IUPAC1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc21
InChIInChI=1S/C21H19N5O5/c1-3-25-15-10-9-12(11-14(15)22-17(28)18(25)29)16(27)24-26-19(30)21(2,23-20(26)31)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,22,28)(H,23,31)(H,24,27)/t21-/m1/s1
InChIKeyJBZYREXNLHKFNG-OAQYLSRUSA-N
MW421.41 g/mol
LogP0.82
Rot. Bonds4

About 1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 40956677) has the molecular formula C21H19N5O5 and a molecular weight of 421.41 g/mol. Its IUPAC name is 1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID40956677
Molecular FormulaC21H19N5O5
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc21
InChIInChI=1S/C21H19N5O5/c1-3-25-15-10-9-12(11-14(15)22-17(28)18(25)29)16(27)24-26-19(30)21(2,23-20(26)31)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,22,28)(H,23,31)(H,24,27)/t21-/m1/s1
InChIKeyJBZYREXNLHKFNG-OAQYLSRUSA-N
XLogP0.82
TPSA133.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide
CID 84861598
1-ethyl-N-(1H-indol-2-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 167771108
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120653143
3,5-dimethoxy-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 8879493
2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide
CID 55342530
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 119523999
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
CID 27742876
1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35513573

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 40956677) is 1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc21.
What is the InChIKey of 1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is JBZYREXNLHKFNG-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19N5O5/c1-3-25-15-10-9-12(11-14(15)22-17(28)18(25)29)16(27)24-26-19(30)21(2,23-20(26)31)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,22,28)(H,23,31)(H,24,27)/t21-/m1/s1.
What are the key properties of 1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 421.41 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 40956677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).