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

C22H26N4O4 — CID 112764496

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC(c3cccc(OC)c3)N(C)C)ccc21
InChIInChI=1S/C22H26N4O4/c1-5-26-18-10-9-15(12-17(18)24-21(28)22(26)29)20(27)23-13-19(25(2)3)14-7-6-8-16(11-14)30-4/h6-12,19H,5,13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyJLFOPGUKZGDUMA-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.75
Rot. Bonds7

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

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 112764496) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID112764496
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC(c3cccc(OC)c3)N(C)C)ccc21
InChIInChI=1S/C22H26N4O4/c1-5-26-18-10-9-15(12-17(18)24-21(28)22(26)29)20(27)23-13-19(25(2)3)14-7-6-8-16(11-14)30-4/h6-12,19H,5,13H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyJLFOPGUKZGDUMA-UHFFFAOYSA-N
XLogP1.75
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 40891158
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120653143
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide
CID 112506532
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55337196
1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 47020508
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-nitrobenzamide
CID 45001537
1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51186700
2-[(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-methylamino]acetic acid
CID 119346233
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 112764496) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC(c3cccc(OC)c3)N(C)C)ccc21.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is JLFOPGUKZGDUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-5-26-18-10-9-15(12-17(18)24-21(28)22(26)29)20(27)23-13-19(25(2)3)14-7-6-8-16(11-14)30-4/h6-12,19H,5,13H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 112764496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).