[2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate

C19H16N4O4 — CID 7676574

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc3nccnc3c2)c1
InChIInChI=1S/C19H16N4O4/c1-12(24)22-14-3-2-4-15(10-14)23-18(25)11-27-19(26)13-5-6-16-17(9-13)21-8-7-20-16/h2-10H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyGEPVJTUJEKVAFN-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.38
Rot. Bonds5

About [2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate

[2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate (PubChem CID 7676574) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
PubChem CID7676574
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc3nccnc3c2)c1
InChIInChI=1S/C19H16N4O4/c1-12(24)22-14-3-2-4-15(10-14)23-18(25)11-27-19(26)13-5-6-16-17(9-13)21-8-7-20-16/h2-10H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyGEPVJTUJEKVAFN-UHFFFAOYSA-N
XLogP2.38
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677388
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(2,6-diethylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 40991554
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677317
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677351
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524816
[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7416051
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate (CID 7676574) is [2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate is CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc3nccnc3c2)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate?
The InChIKey is GEPVJTUJEKVAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-12(24)22-14-3-2-4-15(10-14)23-18(25)11-27-19(26)13-5-6-16-17(9-13)21-8-7-20-16/h2-10H,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate?
[2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate has a molecular weight of 364.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate is sourced from PubChem (CID 7676574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).