N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

C25H20N4O4 — CID 60578176

IUPACN-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)ccc21
InChIInChI=1S/C25H20N4O4/c1-3-29-22-11-6-17(13-21(22)28-24(31)25(29)32)23(30)27-20-10-9-19(12-15(20)2)33-18-7-4-16(14-26)5-8-18/h4-13H,3H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyFJWSIPMLPYBPFD-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.93
Rot. Bonds5

About N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 60578176) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID60578176
Molecular FormulaC25H20N4O4
Molecular Weight440.46 g/mol
Exact Mass440.15
IUPAC NameN-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)ccc21
InChIInChI=1S/C25H20N4O4/c1-3-29-22-11-6-17(13-21(22)28-24(31)25(29)32)23(30)27-20-10-9-19(12-15(20)2)33-18-7-4-16(14-26)5-8-18/h4-13H,3H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyFJWSIPMLPYBPFD-UHFFFAOYSA-N
XLogP3.93
TPSA116.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26584443
N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26620345
1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 30859500
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35513573
1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24564378
N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26365670
N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 60578238
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-N-(2-methylpiperidin-4-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120600709
1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide
CID 24568998

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 60578176) is N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)ccc21.
What is the InChIKey of N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is FJWSIPMLPYBPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4/c1-3-29-22-11-6-17(13-21(22)28-24(31)25(29)32)23(30)27-20-10-9-19(12-15(20)2)33-18-7-4-16(14-26)5-8-18/h4-13H,3H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 60578176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).