1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

C18H18N4O4 — CID 47020508

IUPAC1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccnc(OC)c3)ccc21
InChIInChI=1S/C18H18N4O4/c1-3-22-14-5-4-12(9-13(14)21-17(24)18(22)25)16(23)20-10-11-6-7-19-15(8-11)26-2/h4-9H,3,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZRRXFPFCMNTDCB-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.04
Rot. Bonds5

About 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 47020508) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID47020508
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccnc(OC)c3)ccc21
InChIInChI=1S/C18H18N4O4/c1-3-22-14-5-4-12(9-13(14)21-17(24)18(22)25)16(23)20-10-11-6-7-19-15(8-11)26-2/h4-9H,3,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZRRXFPFCMNTDCB-UHFFFAOYSA-N
XLogP1.04
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide with MolForge

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Related Compounds

1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide
CID 24536906
1-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35858767
1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35513573
1-ethyl-N-(1H-indol-2-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 167771108
1-ethyl-N-[2-(4-methylphenoxy)ethyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 27823645
1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide
CID 39560436
N-[(2-methoxy-4-pyridinyl)methyl]-1H-indazole-6-carboxamide
CID 60721835
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
CID 27742876
1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 134027715
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 47020508) is 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccnc(OC)c3)ccc21.
What is the InChIKey of 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is ZRRXFPFCMNTDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-3-22-14-5-4-12(9-13(14)21-17(24)18(22)25)16(23)20-10-11-6-7-19-15(8-11)26-2/h4-9H,3,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 47020508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).