[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate

C18H18N4O6 — CID 47012465

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate
SMILESCOCCn1nc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)ccc1=O
InChIInChI=1S/C18H18N4O6/c1-27-9-8-22-16(24)7-6-13(20-22)18(26)28-11-17(25)21-10-15(23)19-12-4-2-3-5-14(12)21/h2-7H,8-11H2,1H3,(H,19,23)
InChIKeyQHEGCBIJGWFXIU-UHFFFAOYSA-N
MW386.36 g/mol
LogP0.03
Rot. Bonds6

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate (PubChem CID 47012465) has the molecular formula C18H18N4O6 and a molecular weight of 386.36 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate
PubChem CID47012465
Molecular FormulaC18H18N4O6
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate
SMILESCOCCn1nc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)ccc1=O
InChIInChI=1S/C18H18N4O6/c1-27-9-8-22-16(24)7-6-13(20-22)18(26)28-11-17(25)21-10-15(23)19-12-4-2-3-5-14(12)21/h2-7H,8-11H2,1H3,(H,19,23)
InChIKeyQHEGCBIJGWFXIU-UHFFFAOYSA-N
XLogP0.03
TPSA119.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylpyrazine-2-carboxylate
CID 2645878
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-fluorobenzoate
CID 2431024
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2636488
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2634946
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,5-dimethoxybenzoate
CID 7561082
trans-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776857
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 7854017
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 55306186
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-amino-5-bromobenzoate
CID 7149179
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,4-difluorobenzoate
CID 2645908

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate (CID 47012465) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate is COCCn1nc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)ccc1=O.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate?
The InChIKey is QHEGCBIJGWFXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O6/c1-27-9-8-22-16(24)7-6-13(20-22)18(26)28-11-17(25)21-10-15(23)19-12-4-2-3-5-14(12)21/h2-7H,8-11H2,1H3,(H,19,23).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate has a molecular weight of 386.36 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 47012465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).