[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate

C21H23N3O4 — CID 2514854

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H23N3O4/c1-3-23(4-2)16-11-9-15(10-12-16)21(27)28-14-20(26)24-13-19(25)22-17-7-5-6-8-18(17)24/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyXNJVCFKPAIINGM-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.67
Rot. Bonds6

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate (PubChem CID 2514854) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate
PubChem CID2514854
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H23N3O4/c1-3-23(4-2)16-11-9-15(10-12-16)21(27)28-14-20(26)24-13-19(25)22-17-7-5-6-8-18(17)24/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyXNJVCFKPAIINGM-UHFFFAOYSA-N
XLogP2.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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] 5-methylpyrazine-2-carboxylate
CID 2645878
trans-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776857
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 4263098
[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-amino-5-bromobenzoate
CID 7149179
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,4-difluorobenzoate
CID 2645908
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,5-dimethoxybenzoate
CID 7561082
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylate
CID 47012465
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191513

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate (CID 2514854) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate?
The InChIKey is XNJVCFKPAIINGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-23(4-2)16-11-9-15(10-12-16)21(27)28-14-20(26)24-13-19(25)22-17-7-5-6-8-18(17)24/h5-12H,3-4,13-14H2,1-2H3,(H,22,25).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate has a molecular weight of 381.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-(diethylamino)benzoate is sourced from PubChem (CID 2514854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).