ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate

C12H15N3O3 — CID 18008900

IUPACethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate
SMILESCCOC(=O)C1Nc2cc(N)c(C)cc2NC1=O
InChIInChI=1S/C12H15N3O3/c1-3-18-12(17)10-11(16)15-8-4-6(2)7(13)5-9(8)14-10/h4-5,10,14H,3,13H2,1-2H3,(H,15,16)
InChIKeyUYOWLCUJPOGPIA-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.87
Rot. Bonds2

About ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate

ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate (PubChem CID 18008900) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate
PubChem CID18008900
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Nameethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate
SMILESCCOC(=O)C1Nc2cc(N)c(C)cc2NC1=O
InChIInChI=1S/C12H15N3O3/c1-3-18-12(17)10-11(16)15-8-4-6(2)7(13)5-9(8)14-10/h4-5,10,14H,3,13H2,1-2H3,(H,15,16)
InChIKeyUYOWLCUJPOGPIA-UHFFFAOYSA-N
XLogP0.87
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate
CID 22956885
ethyl 8-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate
CID 142193926
ethyl 7-bromo-3-oxo-4H-1,4-benzothiazine-2-carboxylate
CID 90743664
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide
CID 2897145
ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate
CID 2749323
ethyl (3S,4S,5S)-2-oxo-4,5-diphenylpyrrolidine-3-carboxylate
CID 129438808
ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 989127
2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(3,5-dimethylphenyl)acetamide
CID 7195425
ethyl 7-chloro-2,4-dioxo-1H-quinoline-3-carboxylate
CID 19736600
ethyl 2-bromo-5,7-dioxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 138112799
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-prop-2-enylacetamide
CID 7455813
ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 41253520

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate?
The IUPAC name of ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate (CID 18008900) is ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate is CCOC(=O)C1Nc2cc(N)c(C)cc2NC1=O.
What is the InChIKey of ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate?
The InChIKey is UYOWLCUJPOGPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-18-12(17)10-11(16)15-8-4-6(2)7(13)5-9(8)14-10/h4-5,10,14H,3,13H2,1-2H3,(H,15,16).
What are the key properties of ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate?
ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-6-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylate is sourced from PubChem (CID 18008900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).