1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

C21H22N4O5 — CID 30859500

IUPAC1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)cc1
InChIInChI=1S/C21H22N4O5/c1-3-22-18(26)12-30-15-8-6-14(7-9-15)23-19(27)13-5-10-17-16(11-13)24-20(28)21(29)25(17)4-2/h5-11H,3-4,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyJVEHHYHEKLSFRM-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.48
Rot. Bonds7

About 1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 30859500) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID30859500
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)cc1
InChIInChI=1S/C21H22N4O5/c1-3-22-18(26)12-30-15-8-6-14(7-9-15)23-19(27)13-5-10-17-16(11-13)24-20(28)21(29)25(17)4-2/h5-11H,3-4,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyJVEHHYHEKLSFRM-UHFFFAOYSA-N
XLogP1.48
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26365670
N-[3-(4-bromoanilino)-3-oxopropyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 60552253
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
N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 60578176
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
CID 33252679
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26620345
1-ethyl-2,3-dioxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
CID 46417026
1-ethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24613478

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 30859500) is 1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCNC(=O)COc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)cc1.
What is the InChIKey of 1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is JVEHHYHEKLSFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-3-22-18(26)12-30-15-8-6-14(7-9-15)23-19(27)13-5-10-17-16(11-13)24-20(28)21(29)25(17)4-2/h5-11H,3-4,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide?
1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 30859500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).