1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide

C15H19N3O4 — CID 35513573

IUPAC1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCCOC)ccc21
InChIInChI=1S/C15H19N3O4/c1-3-18-12-6-5-10(13(19)16-7-4-8-22-2)9-11(12)17-14(20)15(18)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCWFQTCQSKXPSHA-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.48
Rot. Bonds6

About 1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide

1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 35513573) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID35513573
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCCOC)ccc21
InChIInChI=1S/C15H19N3O4/c1-3-18-12-6-5-10(13(19)16-7-4-8-22-2)9-11(12)17-14(20)15(18)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCWFQTCQSKXPSHA-UHFFFAOYSA-N
XLogP0.48
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-[2-(4-methylphenoxy)ethyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 27823645
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119447949
1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
CID 27742876
1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide
CID 39560436
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 17468452
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120653143
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 47020508
N-[3-(4-bromoanilino)-3-oxopropyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 60552253
1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
1-ethyl-N-(1H-indol-2-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 167771108

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 35513573) is 1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCCOC)ccc21.
What is the InChIKey of 1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is CWFQTCQSKXPSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-3-18-12-6-5-10(13(19)16-7-4-8-22-2)9-11(12)17-14(20)15(18)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide?
1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 35513573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).